2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide

C16H14N2O — CID 168520968

IUPAC2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
SMILESCc1cccc(-c2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C16H14N2O/c1-12-4-2-5-13(10-12)14-6-3-7-15(11-14)18-16(19)8-9-17/h2-7,10-11H,8H2,1H3,(H,18,19)
InChIKeyOPOBBGFDNGBYOC-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.51
Rot. Bonds3

About 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide

2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide (PubChem CID 168520968) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
PubChem CID168520968
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
SMILESCc1cccc(-c2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C16H14N2O/c1-12-4-2-5-13(10-12)14-6-3-7-15(11-14)18-16(19)8-9-17/h2-7,10-11H,8H2,1H3,(H,18,19)
InChIKeyOPOBBGFDNGBYOC-UHFFFAOYSA-N
XLogP3.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2-[3-[(2-cyanoacetyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168522691
2-cyano-N-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 168521112
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
N-[4-(3-chlorophenyl)phenyl]-2-cyanoacetamide
CID 168521018
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide (CID 168520968) is 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide is Cc1cccc(-c2cccc(NC(=O)CC#N)c2)c1.
What is the InChIKey of 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide?
The InChIKey is OPOBBGFDNGBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-4-2-5-13(10-12)14-6-3-7-15(11-14)18-16(19)8-9-17/h2-7,10-11H,8H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide?
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide is sourced from PubChem (CID 168520968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).