KVF

(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide

Created:2023-08-14
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count37
Aromatic Bond Count12
2D diagram of KVF

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Chemical Component Summary

Name(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
Systematic Name (OpenEye OEToolkits)(2~{S})-2-(3-chlorophenyl)-~{N}-(5-methylpyridazin-4-yl)butanamide
FormulaC15 H16 Cl N3 O
Molecular Weight289.76
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
SMILESCACTVS3.385CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2
SMILESOpenEye OEToolkits2.0.7CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C
Canonical SMILESCACTVS3.385 CC[C@H](C(=O)Nc1cnncc1C)c2cccc(Cl)c2
Canonical SMILESOpenEye OEToolkits2.0.7 CC[C@@H](c1cccc(c1)Cl)C(=O)Nc2cnncc2C
InChIInChI1.06 InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
InChIKeyInChI1.06 AATSBPIJUYIMKX-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
PubChem 169408176