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

C13H8BrClN2O3 — CID 103977639

IUPAC3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyMHZYDXWCZGHKCZ-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.26
Rot. Bonds3

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

3-bromo-2-chloro-N-(4-nitrophenyl)benzamide (PubChem CID 103977639) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
PubChem CID103977639
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18)
InChIKeyMHZYDXWCZGHKCZ-UHFFFAOYSA-N
XLogP4.26
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 54.26
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

2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
CID 103988657
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
3-bromo-2-chloro-N-(4-fluoro-2-nitrophenyl)benzamide
CID 103979841
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide (CID 103977639) is 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide?
The InChIKey is MHZYDXWCZGHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-11-3-1-2-10(12(11)15)13(18)16-8-4-6-9(7-5-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of 3-bromo-2-chloro-N-(4-nitrophenyl)benzamide?
3-bromo-2-chloro-N-(4-nitrophenyl)benzamide has a molecular weight of 355.58 g/mol, XLogP of 4.26, 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-nitrophenyl)benzamide is sourced from PubChem (CID 103977639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).