2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide

C19H20FNO2 — CID 709759

IUPAC2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1F
InChIInChI=1S/C19H20FNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22)
InChIKeyUPMBBVHNRHGNOX-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.30
Rot. Bonds4

About 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide

2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 709759) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID709759
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1F
InChIInChI=1S/C19H20FNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22)
InChIKeyUPMBBVHNRHGNOX-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 709759) is 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is UPMBBVHNRHGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-9-5-4-8-16(17)18(22)21-14-19(10-12-23-13-11-19)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22).
What are the key properties of 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 313.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 709759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).