5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide

C13H9BrCl2N2O — CID 43347151

IUPAC5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-6-8(17)2-3-10(9)15/h1-6H,17H2,(H,18,19)
InChIKeySKMZOGZNGDDUSD-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

About 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide

5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide (PubChem CID 43347151) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
PubChem CID43347151
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-6-8(17)2-3-10(9)15/h1-6H,17H2,(H,18,19)
InChIKeySKMZOGZNGDDUSD-UHFFFAOYSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.59
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

N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide (CID 43347151) is 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide is Nc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide?
The InChIKey is SKMZOGZNGDDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-6-8(17)2-3-10(9)15/h1-6H,17H2,(H,18,19).
What are the key properties of 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide?
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide has a molecular weight of 360.04 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 43347151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).