2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide

C14H18FNO2 — CID 110736416

IUPAC2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)9-14(17)16-10-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17)
InChIKeyQWSMJBOLSAITOO-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide

2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide (PubChem CID 110736416) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
PubChem CID110736416
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1CCOCC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)9-14(17)16-10-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17)
InChIKeyQWSMJBOLSAITOO-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

2-(3-aminophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 63725713
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
2-(3-fluorophenyl)-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007620
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
CID 56827603
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
trans-(1R,2S)-2-[[[2-(3-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 154807680
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide (CID 110736416) is 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide is O=C(Cc1cccc(F)c1)NCC1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is QWSMJBOLSAITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)9-14(17)16-10-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide?
2-(3-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-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 110736416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).