4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide

C23H22FNO2 — CID 118266811

IUPAC4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(Cc2ccccc2)c2ccccc2c1F
InChIInChI=1S/C23H22FNO2/c24-22-20-9-5-4-8-19(20)17(14-16-6-2-1-3-7-16)15-21(22)23(26)25-18-10-12-27-13-11-18/h1-9,15,18H,10-14H2,(H,25,26)
InChIKeyQWBQDGBZQMEXHN-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.48
Rot. Bonds4

About 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide

4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide (PubChem CID 118266811) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide
PubChem CID118266811
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(Cc2ccccc2)c2ccccc2c1F
InChIInChI=1S/C23H22FNO2/c24-22-20-9-5-4-8-19(20)17(14-16-6-2-1-3-7-16)15-21(22)23(26)25-18-10-12-27-13-11-18/h1-9,15,18H,10-14H2,(H,25,26)
InChIKeyQWBQDGBZQMEXHN-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide?
The IUPAC name of 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide (CID 118266811) is 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide is O=C(NC1CCOCC1)c1cc(Cc2ccccc2)c2ccccc2c1F.
What is the InChIKey of 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide?
The InChIKey is QWBQDGBZQMEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c24-22-20-9-5-4-8-19(20)17(14-16-6-2-1-3-7-16)15-21(22)23(26)25-18-10-12-27-13-11-18/h1-9,15,18H,10-14H2,(H,25,26).
What are the key properties of 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide?
4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-fluoro-N-(oxan-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 118266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).