N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide

C13H7BrClFN2O3 — CID 103867738

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H7BrClFN2O3/c14-10-5-8(16)6-11(15)12(10)17-13(19)7-1-3-9(4-2-7)18(20)21/h1-6H,(H,17,19)
InChIKeyAXDBMMZJRNZEHR-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide (PubChem CID 103867738) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
PubChem CID103867738
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H7BrClFN2O3/c14-10-5-8(16)6-11(15)12(10)17-13(19)7-1-3-9(4-2-7)18(20)21/h1-6H,(H,17,19)
InChIKeyAXDBMMZJRNZEHR-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-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4158192
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
2-bromo-6-chloro-N-[(2-chloro-4-nitrophenyl)methyl]-4-fluoroaniline
CID 107611307
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide (CID 103867738) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide is O=C(Nc1c(Cl)cc(F)cc1Br)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide?
The InChIKey is AXDBMMZJRNZEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-10-5-8(16)6-11(15)12(10)17-13(19)7-1-3-9(4-2-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-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 N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 103867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).