4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide

C18H18N2O — CID 82179459

IUPAC4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C18H18N2O/c1-3-15-6-4-5-13(2)17(15)20-18(21)16-9-7-14(8-10-16)11-12-19/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyAVSQJMZKAJYXMI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.88
Rot. Bonds4

About 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide

4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 82179459) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID82179459
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C18H18N2O/c1-3-15-6-4-5-13(2)17(15)20-18(21)16-9-7-14(8-10-16)11-12-19/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyAVSQJMZKAJYXMI-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide (CID 82179459) is 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is AVSQJMZKAJYXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-15-6-4-5-13(2)17(15)20-18(21)16-9-7-14(8-10-16)11-12-19/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide?
4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 278.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 82179459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).