4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide

C13H7BrClFN2O3 — CID 107335305

IUPAC4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-11-2-1-7(3-12(11)15)13(19)17-9-4-8(16)5-10(6-9)18(20)21/h1-6H,(H,17,19)
InChIKeyPMRBBKPJQXXTKI-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide

4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide (PubChem CID 107335305) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
PubChem CID107335305
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H7BrClFN2O3/c14-11-2-1-7(3-12(11)15)13(19)17-9-4-8(16)5-10(6-9)18(20)21/h1-6H,(H,17,19)
InChIKeyPMRBBKPJQXXTKI-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

6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334878
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide (CID 107335305) is 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide is O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide?
The InChIKey is PMRBBKPJQXXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-11-2-1-7(3-12(11)15)13(19)17-9-4-8(16)5-10(6-9)18(20)21/h1-6H,(H,17,19).
What are the key properties of 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide?
4-bromo-3-chloro-N-(3-fluoro-5-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 4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide is sourced from PubChem (CID 107335305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).