3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide

C13H10BrFN2O2 — CID 107624299

IUPAC3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)Nc2cc(F)ccc2Br)c1O
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)17-13(19)8-2-1-3-10(16)12(8)18/h1-6,18H,16H2,(H,17,19)
InChIKeyAKFIEEMJIJNUOB-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.13
Rot. Bonds2

About 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide

3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide (PubChem CID 107624299) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
PubChem CID107624299
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
SMILESNc1cccc(C(=O)Nc2cc(F)ccc2Br)c1O
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)17-13(19)8-2-1-3-10(16)12(8)18/h1-6,18H,16H2,(H,17,19)
InChIKeyAKFIEEMJIJNUOB-UHFFFAOYSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.13
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

3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
N-(5-amino-2-bromophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298391
2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
CID 103832912
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide (CID 107624299) is 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide is Nc1cccc(C(=O)Nc2cc(F)ccc2Br)c1O.
What is the InChIKey of 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide?
The InChIKey is AKFIEEMJIJNUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-5-4-7(15)6-11(9)17-13(19)8-2-1-3-10(16)12(8)18/h1-6,18H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide?
3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide has a molecular weight of 325.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107624299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).