3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide

C21H18FNO2 — CID 2942022

IUPAC3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-25-19-12-10-16(11-13-19)20(15-6-3-2-4-7-15)23-21(24)17-8-5-9-18(22)14-17/h2-14,20H,1H3,(H,23,24)
InChIKeyKPQJDFNOCVRQKH-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.35
Rot. Bonds5

About 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide

3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide (PubChem CID 2942022) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
PubChem CID2942022
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C21H18FNO2/c1-25-19-12-10-16(11-13-19)20(15-6-3-2-4-7-15)23-21(24)17-8-5-9-18(22)14-17/h2-14,20H,1H3,(H,23,24)
InChIKeyKPQJDFNOCVRQKH-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.35
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)-phenylmethyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide (CID 2942022) is 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide is COc1ccc(C(NC(=O)c2cccc(F)c2)c2ccccc2)cc1.
What is the InChIKey of 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
The InChIKey is KPQJDFNOCVRQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-19-12-10-16(11-13-19)20(15-6-3-2-4-7-15)23-21(24)17-8-5-9-18(22)14-17/h2-14,20H,1H3,(H,23,24).
What are the key properties of 3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide?
3-fluoro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.35, 5 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)-phenylmethyl]benzamide is sourced from PubChem (CID 2942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).