(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

C19H22ClNO — CID 7945468

IUPAC(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-13(2)18(16-9-11-17(20)12-10-16)19(22)21-14(3)15-7-5-4-6-8-15/h4-14,18H,1-3H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyJLPMIXQPQVBUMY-KBXCAEBGSA-N
MW315.84 g/mol
LogP4.96
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 7945468) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID7945468
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-13(2)18(16-9-11-17(20)12-10-16)19(22)21-14(3)15-7-5-4-6-8-15/h4-14,18H,1-3H3,(H,21,22)/t14-,18+/m0/s1
InChIKeyJLPMIXQPQVBUMY-KBXCAEBGSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 43238753
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873
(2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 35067201
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 7945468) is (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is JLPMIXQPQVBUMY-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-13(2)18(16-9-11-17(20)12-10-16)19(22)21-14(3)15-7-5-4-6-8-15/h4-14,18H,1-3H3,(H,21,22)/t14-,18+/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 315.84 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 7945468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).