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

C18H19ClN2O2 — CID 109038513

IUPAC3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-10-15(19)6-7-17(12)21-18(23)8-9-20-16-5-3-4-14(11-16)13(2)22/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyDWHFGWAKLYIEBP-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.29
Rot. Bonds6

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

3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 109038513) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID109038513
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-10-15(19)6-7-17(12)21-18(23)8-9-20-16-5-3-4-14(11-16)13(2)22/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyDWHFGWAKLYIEBP-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-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038923
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
methyl 3-[[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 109034018

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide (CID 109038513) is 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide is CC(=O)c1cccc(NCCC(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is DWHFGWAKLYIEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-10-15(19)6-7-17(12)21-18(23)8-9-20-16-5-3-4-14(11-16)13(2)22/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide?
3-(3-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-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109038513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).