3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide

C13H7BrClFN2O3 — CID 103979841

IUPAC3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(Br)c1Cl
InChIInChI=1S/C13H7BrClFN2O3/c14-9-3-1-2-8(12(9)15)13(19)17-10-5-4-7(16)6-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyGIAVASQBIFBLEV-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide

3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide (PubChem CID 103979841) has the molecular formula C13H7BrClFN2O3 and a molecular weight of 373.57 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
PubChem CID103979841
Molecular FormulaC13H7BrClFN2O3
Molecular Weight373.57 g/mol
Exact Mass371.93
IUPAC Name3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(Br)c1Cl
InChIInChI=1S/C13H7BrClFN2O3/c14-9-3-1-2-8(12(9)15)13(19)17-10-5-4-7(16)6-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyGIAVASQBIFBLEV-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-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
2-bromo-5-fluoro-N-(2-nitrophenyl)benzamide
CID 60667245
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
N-(2-bromo-5-methylphenyl)-2-chloro-3-nitrobenzamide
CID 115931391
(4-fluoro-2-nitrophenyl)urea
CID 69476086

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide (CID 103979841) is 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide is O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide?
The InChIKey is GIAVASQBIFBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2O3/c14-9-3-1-2-8(12(9)15)13(19)17-10-5-4-7(16)6-11(10)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide?
3-bromo-2-chloro-N-(4-fluoro-2-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-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide is sourced from PubChem (CID 103979841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).