N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide

C14H12FNO4 — CID 64794044

IUPACN-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(O)cc2F)c1
InChIInChI=1S/C14H12FNO4/c1-20-9-3-5-13(18)10(7-9)14(19)16-12-4-2-8(17)6-11(12)15/h2-7,17-18H,1H3,(H,16,19)
InChIKeyNKXZRYSDGSAKFL-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.50
Rot. Bonds3

About N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide

N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 64794044) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
PubChem CID64794044
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(O)cc2F)c1
InChIInChI=1S/C14H12FNO4/c1-20-9-3-5-13(18)10(7-9)14(19)16-12-4-2-8(17)6-11(12)15/h2-7,17-18H,1H3,(H,16,19)
InChIKeyNKXZRYSDGSAKFL-UHFFFAOYSA-N
XLogP2.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
2-hydroxy-4-methoxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813403
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide (CID 64794044) is N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2ccc(O)cc2F)c1.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is NKXZRYSDGSAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-20-9-3-5-13(18)10(7-9)14(19)16-12-4-2-8(17)6-11(12)15/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide?
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 277.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 64794044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).