5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide

C14H12FNO2 — CID 21416449

IUPAC5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cc(-c2ccc(F)cc2)cc(C(N)=O)c1O
InChIInChI=1S/C14H12FNO2/c1-8-6-10(7-12(13(8)17)14(16)18)9-2-4-11(15)5-3-9/h2-7,17H,1H3,(H2,16,18)
InChIKeyNNWQESLDHQTEQW-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.61
Rot. Bonds2

About 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide

5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide (PubChem CID 21416449) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
PubChem CID21416449
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
SMILESCc1cc(-c2ccc(F)cc2)cc(C(N)=O)c1O
InChIInChI=1S/C14H12FNO2/c1-8-6-10(7-12(13(8)17)14(16)18)9-2-4-11(15)5-3-9/h2-7,17H,1H3,(H2,16,18)
InChIKeyNNWQESLDHQTEQW-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide (CID 21416449) is 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide is Cc1cc(-c2ccc(F)cc2)cc(C(N)=O)c1O.
What is the InChIKey of 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
The InChIKey is NNWQESLDHQTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-8-6-10(7-12(13(8)17)14(16)18)9-2-4-11(15)5-3-9/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide?
5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide has a molecular weight of 245.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 21416449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).