3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide

C18H19ClN2O2 — CID 109038514

IUPAC3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-15(19)5-8-17(12)21-18(23)9-10-20-16-6-3-14(4-7-16)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyBLZYSDHGHWUNHH-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.29
Rot. Bonds6

About 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide

3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 109038514) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID109038514
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-15(19)5-8-17(12)21-18(23)9-10-20-16-6-3-14(4-7-16)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyBLZYSDHGHWUNHH-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(4-acetylphenyl)-3-(3,5-dichloroanilino)propanamide
CID 109041022
3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 109041057
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
ethyl 4-[[3-(2,4-dichloroanilino)-3-oxopropyl]amino]benzoate
CID 109042450
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 109038514) is 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is BLZYSDHGHWUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-11-15(19)5-8-17(12)21-18(23)9-10-20-16-6-3-14(4-7-16)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 330.82 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).