5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

C15H14FNO3 — CID 106834726

IUPAC5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2O)c(C)cc1O
InChIInChI=1S/C15H14FNO3/c1-8-6-14(19)9(2)5-12(8)17-15(20)11-7-10(16)3-4-13(11)18/h3-7,18-19H,1-2H3,(H,17,20)
InChIKeyXTQZWOIJJNSCIF-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.11
Rot. Bonds2

About 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (PubChem CID 106834726) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
PubChem CID106834726
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2O)c(C)cc1O
InChIInChI=1S/C15H14FNO3/c1-8-6-14(19)9(2)5-12(8)17-15(20)11-7-10(16)3-4-13(11)18/h3-7,18-19H,1-2H3,(H,17,20)
InChIKeyXTQZWOIJJNSCIF-UHFFFAOYSA-N
XLogP3.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834566
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
3-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298503
N-(2-ethylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298874
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-(2-amino-5-fluorophenyl)-2-hydroxy-5-methylbenzamide
CID 55169166
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (CID 106834726) is 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is Cc1cc(NC(=O)c2cc(F)ccc2O)c(C)cc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The InChIKey is XTQZWOIJJNSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-8-6-14(19)9(2)5-12(8)17-15(20)11-7-10(16)3-4-13(11)18/h3-7,18-19H,1-2H3,(H,17,20).
What are the key properties of 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide has a molecular weight of 275.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 106834726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).