1RC

(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide

Created:	2009-10-22
Last modified:	2021-03-13

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1 entries where 1RC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	12

2D diagram of 1RC

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Chemical Component Summary
Name	(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide
Synonyms	(1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
Systematic Name (OpenEye OEToolkits)	(1R)-2-(5-chloro-2,4-dihydroxy-phenyl)carbonyl-N-ethyl-1,3-dihydroisoindole-1-carboxamide
Formula	C₁₈ H₁₇ Cl N₂ O₄
Molecular Weight	360.792
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC
SMILES	CACTVS	3.352	CCNC(=O)[CH]1N(Cc2ccccc12)C(=O)c3cc(Cl)c(O)cc3O
SMILES	OpenEye OEToolkits	1.7.0	CCNC(=O)C1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl
Canonical SMILES	CACTVS	3.352	CCNC(=O)[C@@H]1N(Cc2ccccc12)C(=O)c3cc(Cl)c(O)cc3O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl
InChI	InChI	1.03	InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1
InChIKey	InChI	1.03	QITRQXXSCAOQLZ-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	44608014
ChEMBL	CHEMBL565861

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