3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide

C13H7Br2FN2O3 — CID 107952009

IUPAC3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(Br)c1F
InChIInChI=1S/C13H7Br2FN2O3/c14-7-4-5-10(11(6-7)18(20)21)17-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,17,19)
InChIKeyFKYREKFZRKJKDA-UHFFFAOYSA-N
MW418.02 g/mol
LogP4.51
Rot. Bonds3

About 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide

3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide (PubChem CID 107952009) has the molecular formula C13H7Br2FN2O3 and a molecular weight of 418.02 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
PubChem CID107952009
Molecular FormulaC13H7Br2FN2O3
Molecular Weight418.02 g/mol
Exact Mass415.88
IUPAC Name3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(Br)c1F
InChIInChI=1S/C13H7Br2FN2O3/c14-7-4-5-10(11(6-7)18(20)21)17-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,17,19)
InChIKeyFKYREKFZRKJKDA-UHFFFAOYSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.02
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
(4-bromo-2-nitrophenyl)urea
CID 54074030
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide (CID 107952009) is 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide?
The InChIKey is FKYREKFZRKJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2O3/c14-7-4-5-10(11(6-7)18(20)21)17-13(19)8-2-1-3-9(15)12(8)16/h1-6H,(H,17,19).
What are the key properties of 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide?
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide has a molecular weight of 418.02 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide is sourced from PubChem (CID 107952009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).