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

C17H17BrN2O2 — CID 9079994

IUPAC2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11-9-15(7-8-16(11)18)20-17(22)10-19-14-5-3-13(4-6-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyCRCSHUBCJORPCQ-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.01
Rot. Bonds5

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

2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 9079994) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID9079994
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-11-9-15(7-8-16(11)18)20-17(22)10-19-14-5-3-13(4-6-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyCRCSHUBCJORPCQ-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide (CID 9079994) is 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide is CC(=O)c1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is CRCSHUBCJORPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11-9-15(7-8-16(11)18)20-17(22)10-19-14-5-3-13(4-6-14)12(2)21/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide?
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide has a molecular weight of 361.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 9079994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).