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

C13H10BrClN2O2 — CID 107618385

IUPAC3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1O
InChIInChI=1S/C13H10BrClN2O2/c14-9-5-4-7(6-10(9)15)17-13(19)8-2-1-3-11(16)12(8)18/h1-6,18H,16H2,(H,17,19)
InChIKeyNDVGVHGMTGVTQF-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.64
Rot. Bonds2

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

3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide (PubChem CID 107618385) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
PubChem CID107618385
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1O
InChIInChI=1S/C13H10BrClN2O2/c14-9-5-4-7(6-10(9)15)17-13(19)8-2-1-3-11(16)12(8)18/h1-6,18H,16H2,(H,17,19)
InChIKeyNDVGVHGMTGVTQF-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
CID 107624299
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide (CID 107618385) is 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide is Nc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1O.
What is the InChIKey of 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide?
The InChIKey is NDVGVHGMTGVTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-9-5-4-7(6-10(9)15)17-13(19)8-2-1-3-11(16)12(8)18/h1-6,18H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide?
3-amino-N-(4-bromo-3-chlorophenyl)-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 3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107618385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).