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

C13H7BrCl2N2O3 — CID 107951900

IUPAC3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-8-3-7(4-10(16)5-8)13(19)17-11-6-9(15)1-2-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyWLWLDFWVQSUZRA-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

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

3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide (PubChem CID 107951900) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
PubChem CID107951900
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC Name3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H7BrCl2N2O3/c14-8-3-7(4-10(16)5-8)13(19)17-11-6-9(15)1-2-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyWLWLDFWVQSUZRA-UHFFFAOYSA-N
XLogP4.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
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-(2-nitrophenyl)benzamide
CID 107951960
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
N-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669
5-bromo-N-(4-chloro-2-nitrophenyl)pyridine-3-carboxamide
CID 60651825
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
CID 69363833
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide (CID 107951900) is 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide is O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide?
The InChIKey is WLWLDFWVQSUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-8-3-7(4-10(16)5-8)13(19)17-11-6-9(15)1-2-12(11)18(20)21/h1-6H,(H,17,19).
What are the key properties of 3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide?
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide has a molecular weight of 390.02 g/mol, XLogP of 4.92, 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-(5-chloro-2-nitrophenyl)benzamide is sourced from PubChem (CID 107951900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).