3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide

C13H7BrF2N2O3 — CID 107952917

IUPAC3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-9-3-1-2-8(12(9)16)13(19)17-10-6-7(15)4-5-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyBATHCLBIOAARDF-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide

3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide (PubChem CID 107952917) has the molecular formula C13H7BrF2N2O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
PubChem CID107952917
Molecular FormulaC13H7BrF2N2O3
Molecular Weight357.11 g/mol
Exact Mass355.96
IUPAC Name3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1F
InChIInChI=1S/C13H7BrF2N2O3/c14-9-3-1-2-8(12(9)16)13(19)17-10-6-7(15)4-5-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyBATHCLBIOAARDF-UHFFFAOYSA-N
XLogP3.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.89
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-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide 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-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
2,5-dibromo-N-(5-fluoro-2-nitrophenyl)thiophene-3-carboxamide
CID 107962304
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide (CID 107952917) is 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide is O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide?
The InChIKey is BATHCLBIOAARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2O3/c14-9-3-1-2-8(12(9)16)13(19)17-10-6-7(15)4-5-11(10)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide?
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide has a molecular weight of 357.11 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide is sourced from PubChem (CID 107952917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).