4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide

C14H12FNO2 — CID 56705920

IUPAC4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(F)c(CO)c2)cc1
InChIInChI=1S/C14H12FNO2/c15-13-6-5-11(7-12(13)8-17)9-1-3-10(4-2-9)14(16)18/h1-7,17H,8H2,(H2,16,18)
InChIKeySPOUAFNNFQELFT-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.08
Rot. Bonds3

About 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide

4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide (PubChem CID 56705920) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
PubChem CID56705920
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(F)c(CO)c2)cc1
InChIInChI=1S/C14H12FNO2/c15-13-6-5-11(7-12(13)8-17)9-1-3-10(4-2-9)14(16)18/h1-7,17H,8H2,(H2,16,18)
InChIKeySPOUAFNNFQELFT-UHFFFAOYSA-N
XLogP2.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide (CID 56705920) is 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(F)c(CO)c2)cc1.
What is the InChIKey of 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is SPOUAFNNFQELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-13-6-5-11(7-12(13)8-17)9-1-3-10(4-2-9)14(16)18/h1-7,17H,8H2,(H2,16,18).
What are the key properties of 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 245.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 56705920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).