2-amino-N-(2-bromo-5-chlorophenyl)benzamide

C13H10BrClN2O — CID 81263172

IUPAC2-amino-N-(2-bromo-5-chlorophenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H10BrClN2O/c14-10-6-5-8(15)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)
InChIKeyLUOIMQMWZOJIKT-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.94
Rot. Bonds2

About 2-amino-N-(2-bromo-5-chlorophenyl)benzamide

2-amino-N-(2-bromo-5-chlorophenyl)benzamide (PubChem CID 81263172) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-chlorophenyl)benzamide
PubChem CID81263172
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name2-amino-N-(2-bromo-5-chlorophenyl)benzamide
SMILESNc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H10BrClN2O/c14-10-6-5-8(15)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18)
InChIKeyLUOIMQMWZOJIKT-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
CID 107033062
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)benzamide?
The IUPAC name of 2-amino-N-(2-bromo-5-chlorophenyl)benzamide (CID 81263172) is 2-amino-N-(2-bromo-5-chlorophenyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-chlorophenyl)benzamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-chlorophenyl)benzamide is Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-chlorophenyl)benzamide?
The InChIKey is LUOIMQMWZOJIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-10-6-5-8(15)7-12(10)17-13(18)9-3-1-2-4-11(9)16/h1-7H,16H2,(H,17,18).
What are the key properties of 2-amino-N-(2-bromo-5-chlorophenyl)benzamide?
2-amino-N-(2-bromo-5-chlorophenyl)benzamide has a molecular weight of 325.59 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-chlorophenyl)benzamide is sourced from PubChem (CID 81263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).