3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide

C16H21ClN2O — CID 110615058

IUPAC3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NC(C)(C)C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-11(2)14(12-5-7-13(17)8-6-12)9-15(20)19-16(3,4)10-18/h5-8,11,14H,9H2,1-4H3,(H,19,20)
InChIKeyCBPGTGXEGNGUSM-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.89
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide

3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide (PubChem CID 110615058) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
PubChem CID110615058
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NC(C)(C)C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O/c1-11(2)14(12-5-7-13(17)8-6-12)9-15(20)19-16(3,4)10-18/h5-8,11,14H,9H2,1-4H3,(H,19,20)
InChIKeyCBPGTGXEGNGUSM-UHFFFAOYSA-N
XLogP3.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide 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

N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 60967814
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
CID 110615043
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
2-(4-chlorophenyl)-N-(2-cyano-3,3-dimethylbutan-2-yl)acetamide
CID 15457246
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 110619409
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607429
N-(2-cyanopropan-2-yl)propanamide
CID 22972527
3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
CID 110310285
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8636918
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-4,4-dimethylpentanenitrile
CID 10799914

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide (CID 110615058) is 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide is CC(C)C(CC(=O)NC(C)(C)C#N)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide?
The InChIKey is CBPGTGXEGNGUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11(2)14(12-5-7-13(17)8-6-12)9-15(20)19-16(3,4)10-18/h5-8,11,14H,9H2,1-4H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide?
3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide has a molecular weight of 292.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 110615058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).