2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide

C18H16N2O2 — CID 168520748

IUPAC2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
SMILESCc1ccc(C(=O)c2cccc(NC(=O)CC#N)c2)cc1C
InChIInChI=1S/C18H16N2O2/c1-12-6-7-15(10-13(12)2)18(22)14-4-3-5-16(11-14)20-17(21)8-9-19/h3-7,10-11H,8H2,1-2H3,(H,20,21)
InChIKeyACDMSJMVDKUSBZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.39
Rot. Bonds4

About 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide

2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide (PubChem CID 168520748) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
PubChem CID168520748
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
SMILESCc1ccc(C(=O)c2cccc(NC(=O)CC#N)c2)cc1C
InChIInChI=1S/C18H16N2O2/c1-12-6-7-15(10-13(12)2)18(22)14-4-3-5-16(11-14)20-17(21)8-9-19/h3-7,10-11H,8H2,1-2H3,(H,20,21)
InChIKeyACDMSJMVDKUSBZ-UHFFFAOYSA-N
XLogP3.39
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
CID 766020
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
(3,4-dimethylphenyl)-[3-(methylamino)phenyl]methanone
CID 116917283
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108923285
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-(3,4-dimethylphenyl)-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168607008

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide (CID 168520748) is 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide is Cc1ccc(C(=O)c2cccc(NC(=O)CC#N)c2)cc1C.
What is the InChIKey of 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide?
The InChIKey is ACDMSJMVDKUSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-6-7-15(10-13(12)2)18(22)14-4-3-5-16(11-14)20-17(21)8-9-19/h3-7,10-11H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide?
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 168520748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).