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

C13H9BrCl2N2O — CID 81290030

IUPACN-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyNQAJGKZXMQZZDR-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.59
Rot. Bonds2

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

N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide (PubChem CID 81290030) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
PubChem CID81290030
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
SMILESNc1cc(Cl)ccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H9BrCl2N2O/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyNQAJGKZXMQZZDR-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

4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(2-bromo-4-chlorophenyl)-3-chloro-4-hydroxybenzamide
CID 81271353
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 81295178
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide (CID 81290030) is N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide is Nc1cc(Cl)ccc1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide?
The InChIKey is NQAJGKZXMQZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-9-3-1-7(5-10(9)16)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide?
N-(2-amino-4-chlorophenyl)-4-bromo-3-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 N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81290030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).