(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

C24H24ClNO — CID 2457506

IUPAC(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO/c1-17(2)23(19-12-14-21(25)15-13-19)24(27)26-22-11-7-6-10-20(22)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyHQKGETOCAFJSJI-HSZRJFAPSA-N
MW377.92 g/mol
LogP6.31
Rot. Bonds6

About (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 2457506) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
PubChem CID2457506
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO/c1-17(2)23(19-12-14-21(25)15-13-19)24(27)26-22-11-7-6-10-20(22)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyHQKGETOCAFJSJI-HSZRJFAPSA-N
XLogP6.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (CID 2457506) is (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is CC(C)[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is HQKGETOCAFJSJI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24ClNO/c1-17(2)23(19-12-14-21(25)15-13-19)24(27)26-22-11-7-6-10-20(22)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 377.92 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 2457506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).