3-bromo-5-chloro-N-(2-nitrophenyl)benzamide

C13H8BrClN2O3 — CID 107951960

IUPAC3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-5-8(6-10(15)7-9)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyBJXSDSFJBJWBKF-UHFFFAOYSA-N
MW355.58 g/mol
LogP4.26
Rot. Bonds3

About 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide

3-bromo-5-chloro-N-(2-nitrophenyl)benzamide (PubChem CID 107951960) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
PubChem CID107951960
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H8BrClN2O3/c14-9-5-8(6-10(15)7-9)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeyBJXSDSFJBJWBKF-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

3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
CID 107951985
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(2-bromophenyl)-3,4-dichloro-5-nitrobenzamide
CID 43215256

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide (CID 107951960) is 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide?
The InChIKey is BJXSDSFJBJWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-9-5-8(6-10(15)7-9)13(18)16-11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of 3-bromo-5-chloro-N-(2-nitrophenyl)benzamide?
3-bromo-5-chloro-N-(2-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-5-chloro-N-(2-nitrophenyl)benzamide is sourced from PubChem (CID 107951960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).