4-fluoro-N-phenylmethoxybenzamide

C14H12FNO2 — CID 9227227

IUPAC4-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeySUYKFSZWPWXFDY-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.69
Rot. Bonds4

About 4-fluoro-N-phenylmethoxybenzamide

4-fluoro-N-phenylmethoxybenzamide (PubChem CID 9227227) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-fluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-phenylmethoxybenzamide
PubChem CID9227227
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name4-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeySUYKFSZWPWXFDY-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-phenylmethoxybenzamide?
The IUPAC name of 4-fluoro-N-phenylmethoxybenzamide (CID 9227227) is 4-fluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-fluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 4-fluoro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-phenylmethoxybenzamide?
The InChIKey is SUYKFSZWPWXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-13-8-6-12(7-9-13)14(17)16-18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of 4-fluoro-N-phenylmethoxybenzamide?
4-fluoro-N-phenylmethoxybenzamide has a molecular weight of 245.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 9227227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).