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

C17H19ClN2O — CID 109033991

IUPAC3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-12-6-3-4-8-15(12)20-17(21)10-11-19-16-9-5-7-14(18)13(16)2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyGLATZUNBEKTXEO-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

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

3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 109033991) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
PubChem CID109033991
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCNc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-12-6-3-4-8-15(12)20-17(21)10-11-19-16-9-5-7-14(18)13(16)2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyGLATZUNBEKTXEO-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
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
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
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide (CID 109033991) is 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCNc1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is GLATZUNBEKTXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-6-3-4-8-15(12)20-17(21)10-11-19-16-9-5-7-14(18)13(16)2/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide?
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 302.81 g/mol, XLogP of 4.40, 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-methylphenyl)propanamide is sourced from PubChem (CID 109033991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).