3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide

C13H9BrCl2N2O — CID 112576057

IUPAC3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-9-6-7(4-5-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19)
InChIKeyCFUPILUGTOVAQS-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

About 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide

3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide (PubChem CID 112576057) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
PubChem CID112576057
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1Cl
InChIInChI=1S/C13H9BrCl2N2O/c14-9-6-7(4-5-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19)
InChIKeyCFUPILUGTOVAQS-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

3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide?
The IUPAC name of 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide (CID 112576057) is 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide is Nc1cccc(C(=O)Nc2ccc(Cl)c(Br)c2)c1Cl.
What is the InChIKey of 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide?
The InChIKey is CFUPILUGTOVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-9-6-7(4-5-10(9)15)18-13(19)8-2-1-3-11(17)12(8)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide?
3-amino-N-(3-bromo-4-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 3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide is sourced from PubChem (CID 112576057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).