3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide

C16H16Cl2N2O — CID 109037795

IUPAC3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-12(17)6-4-8-14(11)19-10-9-16(21)20-15-7-3-2-5-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyWJMNUVIHUSEESU-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.74
Rot. Bonds5

About 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide

3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide (PubChem CID 109037795) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
PubChem CID109037795
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-11-12(17)6-4-8-14(11)19-10-9-16(21)20-15-7-3-2-5-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyWJMNUVIHUSEESU-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(5-chloro-2-methylphenyl)propanamide
CID 109038316
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
3-(4-acetamidoanilino)-N-(3-chloro-2-methylphenyl)propanamide
CID 109038281
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide (CID 109037795) is 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide is Cc1c(Cl)cccc1NCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide?
The InChIKey is WJMNUVIHUSEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-11-12(17)6-4-8-14(11)19-10-9-16(21)20-15-7-3-2-5-13(15)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide?
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide has a molecular weight of 323.22 g/mol, XLogP of 4.74, 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-(2-chlorophenyl)propanamide is sourced from PubChem (CID 109037795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).