2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C28H29F2NO3 — CID 42238955

IUPAC2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C28H29F2NO3/c29-24-12-10-21(11-13-24)18-28(32)31(20-26-8-4-15-33-26)19-22-5-3-7-25(17-22)34-16-14-23-6-1-2-9-27(23)30/h1-3,5-7,9-13,17,26H,4,8,14-16,18-20H2/t26-/m0/s1
InChIKeyRWJOWFNKFASQGP-SANMLTNESA-N
MW465.54 g/mol
LogP5.34
Rot. Bonds10

About 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 42238955) has the molecular formula C28H29F2NO3 and a molecular weight of 465.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID42238955
Molecular FormulaC28H29F2NO3
Molecular Weight465.54 g/mol
Exact Mass465.21
IUPAC Name2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C28H29F2NO3/c29-24-12-10-21(11-13-24)18-28(32)31(20-26-8-4-15-33-26)19-22-5-3-7-25(17-22)34-16-14-23-6-1-2-9-27(23)30/h1-3,5-7,9-13,17,26H,4,8,14-16,18-20H2/t26-/m0/s1
InChIKeyRWJOWFNKFASQGP-SANMLTNESA-N
XLogP5.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45220485
3-(3,5-dimethylpyrazol-1-yl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 45248080
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26342194
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120014
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45216465
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 42238955) is 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)N(Cc1cccc(OCCc2ccccc2F)c1)C[C@@H]1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is RWJOWFNKFASQGP-SANMLTNESA-N. The full InChI is InChI=1S/C28H29F2NO3/c29-24-12-10-21(11-13-24)18-28(32)31(20-26-8-4-15-33-26)19-22-5-3-7-25(17-22)34-16-14-23-6-1-2-9-27(23)30/h1-3,5-7,9-13,17,26H,4,8,14-16,18-20H2/t26-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 465.54 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 42238955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).