3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide

C22H27FN2O2 — CID 49435339

IUPAC3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(Cc2cccc(F)c2)CC2CCCO2)c1
InChIInChI=1S/C22H27FN2O2/c1-24(2)22(26)19-8-3-6-17(12-19)14-25(16-21-10-5-11-27-21)15-18-7-4-9-20(23)13-18/h3-4,6-9,12-13,21H,5,10-11,14-16H2,1-2H3
InChIKeyZAVIWWURZVIRTK-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.71
Rot. Bonds7

About 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide

3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 49435339) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID49435339
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN(Cc2cccc(F)c2)CC2CCCO2)c1
InChIInChI=1S/C22H27FN2O2/c1-24(2)22(26)19-8-3-6-17(12-19)14-25(16-21-10-5-11-27-21)15-18-7-4-9-20(23)13-18/h3-4,6-9,12-13,21H,5,10-11,14-16H2,1-2H3
InChIKeyZAVIWWURZVIRTK-UHFFFAOYSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
CID 94477534
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46954474
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide (CID 49435339) is 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN(Cc2cccc(F)c2)CC2CCCO2)c1.
What is the InChIKey of 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is ZAVIWWURZVIRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-24(2)22(26)19-8-3-6-17(12-19)14-25(16-21-10-5-11-27-21)15-18-7-4-9-20(23)13-18/h3-4,6-9,12-13,21H,5,10-11,14-16H2,1-2H3.
What are the key properties of 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide?
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 370.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 49435339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).