N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide

C13H10BrClN2O2 — CID 79767581

IUPACN-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1Br
InChIInChI=1S/C13H10BrClN2O2/c14-10-3-2-8(6-11(10)16)17-13(19)9-5-7(15)1-4-12(9)18/h1-6,18H,16H2,(H,17,19)
InChIKeyRHHJOCILLZDMBP-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.64
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide

N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide (PubChem CID 79767581) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
PubChem CID79767581
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC NameN-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
SMILESNc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1Br
InChIInChI=1S/C13H10BrClN2O2/c14-10-3-2-8(6-11(10)16)17-13(19)9-5-7(15)1-4-12(9)18/h1-6,18H,16H2,(H,17,19)
InChIKeyRHHJOCILLZDMBP-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-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide (CID 79767581) is N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide is Nc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide?
The InChIKey is RHHJOCILLZDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-10-3-2-8(6-11(10)16)17-13(19)9-5-7(15)1-4-12(9)18/h1-6,18H,16H2,(H,17,19).
What are the key properties of N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide?
N-(3-amino-4-bromophenyl)-5-chloro-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-bromophenyl)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 79767581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).