3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide

C18H21ClN2O — CID 109035268

IUPAC3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O/c1-12-4-5-14(3)17(10-12)21-18(22)8-9-20-16-11-15(19)7-6-13(16)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyCCPJLYWXFAKBPF-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.71
Rot. Bonds5

About 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 109035268) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID109035268
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O/c1-12-4-5-14(3)17(10-12)21-18(22)8-9-20-16-11-15(19)7-6-13(16)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyCCPJLYWXFAKBPF-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
N-(3,5-dichlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035406
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 109035268) is 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCNc2cc(Cl)ccc2C)c1.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is CCPJLYWXFAKBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-4-5-14(3)17(10-12)21-18(22)8-9-20-16-11-15(19)7-6-13(16)2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 109035268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).