3-cyano-N-ethyl-N-(3-methylphenyl)benzamide

C17H16N2O — CID 60737545

IUPAC3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1
InChIInChI=1S/C17H16N2O/c1-3-19(16-9-4-6-13(2)10-16)17(20)15-8-5-7-14(11-15)12-18/h4-11H,3H2,1-2H3
InChIKeyFONNQEIGJODDBD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.53
Rot. Bonds3

About 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide

3-cyano-N-ethyl-N-(3-methylphenyl)benzamide (PubChem CID 60737545) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
PubChem CID60737545
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1
InChIInChI=1S/C17H16N2O/c1-3-19(16-9-4-6-13(2)10-16)17(20)15-8-5-7-14(11-15)12-18/h4-11H,3H2,1-2H3
InChIKeyFONNQEIGJODDBD-UHFFFAOYSA-N
XLogP3.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
2-[(3-cyanophenyl)methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 82177497
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992791
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
2-N-(4-cyanophenyl)-6-N-ethyl-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109101116
3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide (CID 60737545) is 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide is CCN(C(=O)c1cccc(C#N)c1)c1cccc(C)c1.
What is the InChIKey of 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide?
The InChIKey is FONNQEIGJODDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-19(16-9-4-6-13(2)10-16)17(20)15-8-5-7-14(11-15)12-18/h4-11H,3H2,1-2H3.
What are the key properties of 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide?
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide has a molecular weight of 264.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 60737545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).