3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide

C20H20N2O2 — CID 118769181

IUPAC3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide
SMILESCc1cc(C#N)ccc1-c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C20H20N2O2/c1-14-11-15(13-21)5-6-19(14)16-3-2-4-17(12-16)20(23)22-18-7-9-24-10-8-18/h2-6,11-12,18H,7-10H2,1H3,(H,22,23)
InChIKeyFWIFAICJQAAOTC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide

3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide (PubChem CID 118769181) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide
PubChem CID118769181
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide
SMILESCc1cc(C#N)ccc1-c1cccc(C(=O)NC2CCOCC2)c1
InChIInChI=1S/C20H20N2O2/c1-14-11-15(13-21)5-6-19(14)16-3-2-4-17(12-16)20(23)22-18-7-9-24-10-8-18/h2-6,11-12,18H,7-10H2,1H3,(H,22,23)
InChIKeyFWIFAICJQAAOTC-UHFFFAOYSA-N
XLogP3.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
CID 119070352
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
3-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82728473
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide (CID 118769181) is 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide is Cc1cc(C#N)ccc1-c1cccc(C(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide?
The InChIKey is FWIFAICJQAAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-11-15(13-21)5-6-19(14)16-3-2-4-17(12-16)20(23)22-18-7-9-24-10-8-18/h2-6,11-12,18H,7-10H2,1H3,(H,22,23).
What are the key properties of 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide?
3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 118769181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).