N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide

C13H9Br2ClN2O — CID 107937325

IUPACN-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(10(15)5-7)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyJFKLAAMCQBRNBS-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.70
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide

N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide (PubChem CID 107937325) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
PubChem CID107937325
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC NameN-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(10(15)5-7)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyJFKLAAMCQBRNBS-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.70
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

2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide (CID 107937325) is N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide is Nc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide?
The InChIKey is JFKLAAMCQBRNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c14-7-1-3-9(10(15)5-7)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide?
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide has a molecular weight of 404.49 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide is sourced from PubChem (CID 107937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).