4-(cyanomethyl)-N-ethyl-N-phenylbenzamide

C17H16N2O — CID 82179228

IUPAC4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-19(16-6-4-3-5-7-16)17(20)15-10-8-14(9-11-15)12-13-18/h3-11H,2,12H2,1H3
InChIKeyWSMMEURKNQQWOZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.42
Rot. Bonds4

About 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide

4-(cyanomethyl)-N-ethyl-N-phenylbenzamide (PubChem CID 82179228) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
PubChem CID82179228
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(cyanomethyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-19(16-6-4-3-5-7-16)17(20)15-10-8-14(9-11-15)12-13-18/h3-11H,2,12H2,1H3
InChIKeyWSMMEURKNQQWOZ-UHFFFAOYSA-N
XLogP3.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
4-(cyanomethyl)-N,N-diethylbenzamide
CID 82179217
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
2-(4-benzoylphenyl)acetonitrile
CID 12827846
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 4956291
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide (CID 82179228) is 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(CC#N)cc1)c1ccccc1.
What is the InChIKey of 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide?
The InChIKey is WSMMEURKNQQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-19(16-6-4-3-5-7-16)17(20)15-10-8-14(9-11-15)12-13-18/h3-11H,2,12H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide?
4-(cyanomethyl)-N-ethyl-N-phenylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 82179228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).