3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide

C16H16Cl2N2O2 — CID 109038111

IUPAC3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-7-4-12(18)10-14(15)19-9-8-16(21)20-13-5-2-11(17)3-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyQNOGQERZKYSZEJ-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.44
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide (PubChem CID 109038111) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
PubChem CID109038111
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-15-7-4-12(18)10-14(15)19-9-8-16(21)20-13-5-2-11(17)3-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyQNOGQERZKYSZEJ-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide (CID 109038111) is 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The InChIKey is QNOGQERZKYSZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-15-7-4-12(18)10-14(15)19-9-8-16(21)20-13-5-2-11(17)3-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide has a molecular weight of 339.22 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 109038111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).