4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide

C13H7BrClFN2O3 — CID 103774675

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

About 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide

4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide (PubChem CID 103774675) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
PubChem CID103774675
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7BrClFN2O3/c14-11-2-1-7(3-12(11)18(20)21)13(19)17-10-5-8(15)4-9(16)6-10/h1-6H,(H,17,19)
InChIKeyVIBNYTFPSNMMTN-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

N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
4-bromo-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 7761382
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide (CID 103774675) is 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide?
The InChIKey is VIBNYTFPSNMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-11-2-1-7(3-12(11)18(20)21)13(19)17-10-5-8(15)4-9(16)6-10/h1-6H,(H,17,19).
What are the key properties of 4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide?
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide 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-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 103774675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).