4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide

C14H12BrFN2O2 — CID 102739332

IUPAC4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H12BrFN2O2/c1-7-4-9(15)10(16)6-12(7)18-14(20)8-2-3-11(17)13(19)5-8/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyUMCHHZSXMGJZCE-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.44
Rot. Bonds2

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

4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide (PubChem CID 102739332) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
PubChem CID102739332
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
SMILESCc1cc(Br)c(F)cc1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C14H12BrFN2O2/c1-7-4-9(15)10(16)6-12(7)18-14(20)8-2-3-11(17)13(19)5-8/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyUMCHHZSXMGJZCE-UHFFFAOYSA-N
XLogP3.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.44
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-5-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 104889817
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide (CID 102739332) is 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide is Cc1cc(Br)c(F)cc1NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide?
The InChIKey is UMCHHZSXMGJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-7-4-9(15)10(16)6-12(7)18-14(20)8-2-3-11(17)13(19)5-8/h2-6,19H,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide?
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide has a molecular weight of 339.16 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide is sourced from PubChem (CID 102739332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).