4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide

C19H22ClNO — CID 2857117

IUPAC4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(C)c(NC(=O)CC(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO/c1-13-4-5-15(3)18(11-13)21-19(22)12-14(2)10-16-6-8-17(20)9-7-16/h4-9,11,14H,10,12H2,1-3H3,(H,21,22)
InChIKeyXBPGRJCBWOBCSI-UHFFFAOYSA-N
MW315.84 g/mol
LogP5.16
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide

4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide (PubChem CID 2857117) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
PubChem CID2857117
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
SMILESCc1ccc(C)c(NC(=O)CC(C)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO/c1-13-4-5-15(3)18(11-13)21-19(22)12-14(2)10-16-6-8-17(20)9-7-16/h4-9,11,14H,10,12H2,1-3H3,(H,21,22)
InChIKeyXBPGRJCBWOBCSI-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
(2S)-2-benzyl-4-(2,5-dimethylanilino)-4-oxobutanoic acid
CID 683517
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
(2S)-2-benzyl-4-(2,5-dimethylanilino)-4-oxobutanoate
CID 7787033
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide (CID 2857117) is 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide is Cc1ccc(C)c(NC(=O)CC(C)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide?
The InChIKey is XBPGRJCBWOBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-13-4-5-15(3)18(11-13)21-19(22)12-14(2)10-16-6-8-17(20)9-7-16/h4-9,11,14H,10,12H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide?
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide has a molecular weight of 315.84 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 2857117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).