2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide

C20H22FNO3 — CID 42961557

IUPAC2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22FNO3/c21-17-4-1-3-16(11-17)12-20(23)22-13-15-6-8-18(9-7-15)25-14-19-5-2-10-24-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,22,23)
InChIKeyHXOLEJLIFRWBBI-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.24
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide

2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 42961557) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID42961557
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22FNO3/c21-17-4-1-3-16(11-17)12-20(23)22-13-15-6-8-18(9-7-15)25-14-19-5-2-10-24-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,22,23)
InChIKeyHXOLEJLIFRWBBI-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7444728
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55907648
3,5-dimethyl-N-[2-oxo-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]ethyl]benzamide
CID 46469090
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382
3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46470652

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide (CID 42961557) is 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide is O=C(Cc1cccc(F)c1)NCc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is HXOLEJLIFRWBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-4-1-3-16(11-17)12-20(23)22-13-15-6-8-18(9-7-15)25-14-19-5-2-10-24-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,22,23).
What are the key properties of 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 42961557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).