4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide

C16H16FNO2 — CID 689145

IUPAC4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H16FNO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(19)18-10-11-4-3-9-20-11/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/t11-/m1/s1
InChIKeyOWKAGTKPPSXIRZ-LLVKDONJSA-N
MW273.31 g/mol
LogP2.89
Rot. Bonds3

About 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide

4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 689145) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID689145
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H16FNO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(19)18-10-11-4-3-9-20-11/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/t11-/m1/s1
InChIKeyOWKAGTKPPSXIRZ-LLVKDONJSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
8-methylsulfanyl-N-(oxolan-2-ylmethyl)quinoline-5-carboxamide
CID 90112695
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide (CID 689145) is 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide is O=C(NC[C@H]1CCCO1)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is OWKAGTKPPSXIRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(19)18-10-11-4-3-9-20-11/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide?
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).