2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide

C16H13BrN2O3 — CID 2231579

IUPAC2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O3/c1-10(20)18-14-8-3-2-7-13(14)15(21)16(22)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,20)(H,19,22)
InChIKeyFYTDFINGXNLLJS-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide

2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide (PubChem CID 2231579) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide
PubChem CID2231579
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O3/c1-10(20)18-14-8-3-2-7-13(14)15(21)16(22)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,20)(H,19,22)
InChIKeyFYTDFINGXNLLJS-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
CID 4061795
3-[[2-(2-acetamido-5-bromophenyl)-2-oxoacetyl]amino]-N-cyclopropylbenzamide
CID 4278240
3-[[2-(2-acetamido-5-bromophenyl)-2-oxoacetyl]amino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 4278244
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
CID 21232282
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide (CID 2231579) is 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide is CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide?
The InChIKey is FYTDFINGXNLLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-10(20)18-14-8-3-2-7-13(14)15(21)16(22)19-12-6-4-5-11(17)9-12/h2-9H,1H3,(H,18,20)(H,19,22).
What are the key properties of 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide?
2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide has a molecular weight of 361.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-(3-bromophenyl)-2-oxoacetamide is sourced from PubChem (CID 2231579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).