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

C18H19BrN2O2 — CID 109041057

IUPAC3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-3-8-17(16(19)11-12)21-18(23)9-10-20-15-6-4-14(5-7-15)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyWPMQSQKNLDPOFW-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.40
Rot. Bonds6

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

3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide (PubChem CID 109041057) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
PubChem CID109041057
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-3-8-17(16(19)11-12)21-18(23)9-10-20-15-6-4-14(5-7-15)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyWPMQSQKNLDPOFW-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040606
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
N-(2-bromo-4-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042186
3-(4-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038514
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-(2-bromo-4-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16797523

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide (CID 109041057) is 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide is CC(=O)c1ccc(NCCC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide?
The InChIKey is WPMQSQKNLDPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-3-8-17(16(19)11-12)21-18(23)9-10-20-15-6-4-14(5-7-15)13(2)22/h3-8,11,20H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide?
3-(4-acetylanilino)-N-(2-bromo-4-methylphenyl)propanamide has a molecular weight of 375.27 g/mol, XLogP of 4.40, 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-(2-bromo-4-methylphenyl)propanamide is sourced from PubChem (CID 109041057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).