2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide

C19H22ClNO — CID 3680613

IUPAC2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
SMILESCc1cccc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)c1C
InChIInChI=1S/C19H22ClNO/c1-12(2)18(15-8-10-16(20)11-9-15)19(22)21-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,21,22)
InChIKeyGGYWMUKDUZZFPD-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.34
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide

2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide (PubChem CID 3680613) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
PubChem CID3680613
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
SMILESCc1cccc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)c1C
InChIInChI=1S/C19H22ClNO/c1-12(2)18(15-8-10-16(20)11-9-15)19(22)21-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,21,22)
InChIKeyGGYWMUKDUZZFPD-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2-benzylphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 2457506
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
4-chloro-N-[(2S)-1-(2,3-dimethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8714295
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209293
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
(2S)-2-(4-chlorophenyl)-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 9071413
(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
CID 97250492
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide (CID 3680613) is 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide is Cc1cccc(NC(=O)C(c2ccc(Cl)cc2)C(C)C)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide?
The InChIKey is GGYWMUKDUZZFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-12(2)18(15-8-10-16(20)11-9-15)19(22)21-17-7-5-6-13(3)14(17)4/h5-12,18H,1-4H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide has a molecular weight of 315.84 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 3680613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).