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

C13H10BrFN2O2 — CID 107075499

IUPAC2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-3-1-7(5-11(10)15)17-13(19)9-6-8(18)2-4-12(9)16/h1-6,18H,16H2,(H,17,19)
InChIKeyXBXNIDIMELVYIQ-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.13
Rot. Bonds2

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

2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide (PubChem CID 107075499) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
PubChem CID107075499
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H10BrFN2O2/c14-10-3-1-7(5-11(10)15)17-13(19)9-6-8(18)2-4-12(9)16/h1-6,18H,16H2,(H,17,19)
InChIKeyXBXNIDIMELVYIQ-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
CID 107674599
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
N-(4-amino-3-fluorophenyl)-2,4-dihydroxybenzamide
CID 107721506
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
CID 107721508
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
2-amino-5-bromo-N-(4-bromo-3-fluorophenyl)pyridine-3-carboxamide
CID 65437608
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide (CID 107075499) is 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide?
The InChIKey is XBXNIDIMELVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-10-3-1-7(5-11(10)15)17-13(19)9-6-8(18)2-4-12(9)16/h1-6,18H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide?
2-amino-N-(4-bromo-3-fluorophenyl)-5-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 2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide is sourced from PubChem (CID 107075499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).