A1BFC

3-(2-methylpropanamido)benzamide

Created:2024-11-04
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6
2D diagram of A1BFC

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Chemical Component Summary

Name3-(2-methylpropanamido)benzamide
Systematic Name (OpenEye OEToolkits)3-(2-methylpropanoylamino)benzamide
FormulaC11 H14 N2 O2
Molecular Weight206.241
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cc(ccc1)C(N)=O)C(C)C
SMILESCACTVS3.385CC(C)C(=O)Nc1cccc(c1)C(N)=O
SMILESOpenEye OEToolkits3.1.0.0CC(C)C(=O)Nc1cccc(c1)C(=O)N
Canonical SMILESCACTVS3.385 CC(C)C(=O)Nc1cccc(c1)C(N)=O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(C)C(=O)Nc1cccc(c1)C(=O)N
InChIInChI1.06 InChI=1S/C11H14N2O2/c1-7(2)11(15)13-9-5-3-4-8(6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyInChI1.06 BNDJIHWSAYLUIZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 585769