2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide

C17H17BrN2O2 — CID 113177819

IUPAC2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-12-7-3-5-9-15(12)19-17(22)11-20(13(2)21)16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKKJLOWAMOPBNLL-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.75
Rot. Bonds4

About 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide

2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide (PubChem CID 113177819) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
PubChem CID113177819
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-12-7-3-5-9-15(12)19-17(22)11-20(13(2)21)16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKKJLOWAMOPBNLL-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-2,6-dimethylanilino)-N-(2-methylphenyl)acetamide
CID 113168713
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
2-(N-acetyl-4-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169295
2-(N-acetyl-3,5-dimethylanilino)-N-(2-bromophenyl)acetamide
CID 113168590
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide (CID 113177819) is 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C)c1ccccc1Br.
What is the InChIKey of 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is KKJLOWAMOPBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-7-3-5-9-15(12)19-17(22)11-20(13(2)21)16-10-6-4-8-14(16)18/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide?
2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-bromoanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 113177819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).