2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C14H18FNO2 — CID 110733180

IUPAC2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-16(10-13-6-3-7-18-13)14(17)9-11-4-2-5-12(15)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyVFSBOWOLIKYDDB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110733180) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110733180
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-16(10-13-6-3-7-18-13)14(17)9-11-4-2-5-12(15)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyVFSBOWOLIKYDDB-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45216465
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 110733180) is 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VFSBOWOLIKYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(10-13-6-3-7-18-13)14(17)9-11-4-2-5-12(15)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110733180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).