2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide

C17H17BrN2O2 — CID 113167580

IUPAC2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-12-4-3-5-16(10-12)20(13(2)21)11-17(22)19-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKGXGNDFFVVGTRD-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.75
Rot. Bonds4

About 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide

2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide (PubChem CID 113167580) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
PubChem CID113167580
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-12-4-3-5-16(10-12)20(13(2)21)11-17(22)19-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKGXGNDFFVVGTRD-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-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3-methylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 113167614
2-(N-acetyl-3-bromoanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177946
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetyl-3-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113177964

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide (CID 113167580) is 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is KGXGNDFFVVGTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-4-3-5-16(10-12)20(13(2)21)11-17(22)19-15-8-6-14(18)7-9-15/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide?
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)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-3-methylanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 113167580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).