3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide

C17H18Cl2N2O — CID 109038316

IUPAC3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C17H18Cl2N2O/c1-11-6-7-13(18)10-16(11)21-17(22)8-9-20-15-5-3-4-14(19)12(15)2/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyBRWADJNRXPPNGJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds5

About 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide

3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 109038316) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID109038316
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C17H18Cl2N2O/c1-11-6-7-13(18)10-16(11)21-17(22)8-9-20-15-5-3-4-14(19)12(15)2/h3-7,10,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyBRWADJNRXPPNGJ-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
3-(3-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038378
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide (CID 109038316) is 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCNc1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is BRWADJNRXPPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11-6-7-13(18)10-16(11)21-17(22)8-9-20-15-5-3-4-14(19)12(15)2/h3-7,10,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide?
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 337.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).