2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide

C22H19BrN2O3 — CID 4500110

IUPAC2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-28-18-10-8-17(9-11-18)25-21(26)14-24-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyLKOWBPJFPPLLDE-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.74
Rot. Bonds7

About 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide

2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 4500110) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID4500110
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-28-18-10-8-17(9-11-18)25-21(26)14-24-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26)
InChIKeyLKOWBPJFPPLLDE-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-benzoyl-4-bromoanilino)acetyl]amino]benzoic acid
CID 4500113
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871519
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8700658
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
butan-2-yl 2-(2-benzoyl-4-bromoanilino)acetate
CID 4500312
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide (CID 4500110) is 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(Br)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is LKOWBPJFPPLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-28-18-10-8-17(9-11-18)25-21(26)14-24-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,24H,14H2,1H3,(H,25,26).
What are the key properties of 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide?
2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 439.31 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4500110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).