N-(4-bromo-2-fluorophenyl)-2-oxopropanamide

C9H7BrFNO2 — CID 144805374

IUPACN-(4-bromo-2-fluorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFNO2/c1-5(13)9(14)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14)
InChIKeyPWVWWKIYHGZOIL-UHFFFAOYSA-N
MW260.06 g/mol
LogP2.12
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2-oxopropanamide

N-(4-bromo-2-fluorophenyl)-2-oxopropanamide (PubChem CID 144805374) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-oxopropanamide
PubChem CID144805374
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFNO2/c1-5(13)9(14)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14)
InChIKeyPWVWWKIYHGZOIL-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide
CID 47147984
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide
CID 3252551
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxopropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-oxopropanamide (CID 144805374) is N-(4-bromo-2-fluorophenyl)-2-oxopropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-oxopropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-oxopropanamide?
The InChIKey is PWVWWKIYHGZOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c1-5(13)9(14)12-8-3-2-6(10)4-7(8)11/h2-4H,1H3,(H,12,14).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-oxopropanamide?
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide has a molecular weight of 260.06 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-oxopropanamide is sourced from PubChem (CID 144805374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).