2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide

C15H14FNO2 — CID 81477426

IUPAC2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CO)cc2)c1F
InChIInChI=1S/C15H14FNO2/c1-10-3-2-4-13(14(10)16)15(19)17-12-7-5-11(9-18)6-8-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyYXCGIAUOGCUYHF-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.88
Rot. Bonds3

About 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide

2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide (PubChem CID 81477426) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
PubChem CID81477426
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CO)cc2)c1F
InChIInChI=1S/C15H14FNO2/c1-10-3-2-4-13(14(10)16)15(19)17-12-7-5-11(9-18)6-8-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyYXCGIAUOGCUYHF-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide (CID 81477426) is 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CO)cc2)c1F.
What is the InChIKey of 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is YXCGIAUOGCUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-3-2-4-13(14(10)16)15(19)17-12-7-5-11(9-18)6-8-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide?
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 81477426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).