2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide

C14H18FNO2 — CID 110736373

IUPAC2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10H2,(H,16,17)
InChIKeyFVQJVMHIHVNLPN-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.91
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide

2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide (PubChem CID 110736373) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
PubChem CID110736373
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10H2,(H,16,17)
InChIKeyFVQJVMHIHVNLPN-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
2-(3-aminophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 63725713
1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
CID 47186663
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587
2-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(oxan-4-ylmethyl)acetamide
CID 153322934
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide (CID 110736373) is 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)NCC1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is FVQJVMHIHVNLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-14(17)16-10-12-5-7-18-8-6-12/h1-4,12H,5-10H2,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 110736373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).