2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide

C17H18ClNO — CID 132525792

IUPAC2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
SMILESCCC(C)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-3-17(2,13-9-11-14(18)12-10-13)16(20)19-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyREYVGIBCMSQRJI-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide

2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide (PubChem CID 132525792) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
PubChem CID132525792
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
SMILESCCC(C)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-3-17(2,13-9-11-14(18)12-10-13)16(20)19-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyREYVGIBCMSQRJI-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide 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-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
CID 177306140
2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide (CID 132525792) is 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide is CCC(C)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide?
The InChIKey is REYVGIBCMSQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-3-17(2,13-9-11-14(18)12-10-13)16(20)19-15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide?
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide has a molecular weight of 287.79 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide is sourced from PubChem (CID 132525792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).