N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide

C13H10BrClN2O2 — CID 107729182

IUPACN-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2O)ccc1Cl
InChIInChI=1S/C13H10BrClN2O2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,16H2,(H,17,19)
InChIKeyQPXWWRIXVOEMNS-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.64
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide

N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide (PubChem CID 107729182) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
PubChem CID107729182
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Br)ccc2O)ccc1Cl
InChIInChI=1S/C13H10BrClN2O2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,16H2,(H,17,19)
InChIKeyQPXWWRIXVOEMNS-UHFFFAOYSA-N
XLogP3.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide (CID 107729182) is N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide is Nc1cc(NC(=O)c2cc(Br)ccc2O)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide?
The InChIKey is QPXWWRIXVOEMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,16H2,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide?
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide has a molecular weight of 341.59 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 107729182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).