3-fluoro-N-(4-methoxyphenyl)benzamide

C14H12FNO2 — CID 532009

IUPAC3-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17)
InChIKeyQQHQVSLNPRAISI-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.09
Rot. Bonds3

About 3-fluoro-N-(4-methoxyphenyl)benzamide

3-fluoro-N-(4-methoxyphenyl)benzamide (PubChem CID 532009) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)benzamide
PubChem CID532009
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17)
InChIKeyQQHQVSLNPRAISI-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)benzamide (CID 532009) is 3-fluoro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)benzamide?
The InChIKey is QQHQVSLNPRAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)benzamide?
3-fluoro-N-(4-methoxyphenyl)benzamide has a molecular weight of 245.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 532009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).