3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide

C13H7BrClFN2O3 — CID 103852321

IUPAC3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyRMRCOMDQBALOPM-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide

3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide (PubChem CID 103852321) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
PubChem CID103852321
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19)
InChIKeyRMRCOMDQBALOPM-UHFFFAOYSA-N
XLogP4.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.40
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'}

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Related Compounds

3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103886725
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide (CID 103852321) is 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide?
The InChIKey is RMRCOMDQBALOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-9-5-7(1-3-10(9)15)13(19)17-8-2-4-12(18(20)21)11(16)6-8/h1-6H,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide?
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide has a molecular weight of 373.57 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide is sourced from PubChem (CID 103852321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).