2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

C19H22ClNO — CID 28567050

IUPAC2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyGDKYYTSLHZJOKK-SFHVURJKSA-N
MW315.84 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 28567050) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID28567050
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyGDKYYTSLHZJOKK-SFHVURJKSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025097
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552713
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 28567050) is 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is GDKYYTSLHZJOKK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 315.84 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 28567050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).