N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide

C17H25FN2O2 — CID 110918997

IUPACN-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCCC1CCCO
InChIInChI=1S/C17H25FN2O2/c1-19(12-14-6-2-3-9-16(14)18)17(22)13-20-10-4-7-15(20)8-5-11-21/h2-3,6,9,15,21H,4-5,7-8,10-13H2,1H3
InChIKeyYCGXRBZEFPVHEG-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.02
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide

N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 110918997) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID110918997
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCCC1CCCO
InChIInChI=1S/C17H25FN2O2/c1-19(12-14-6-2-3-9-16(14)18)17(22)13-20-10-4-7-15(20)8-5-11-21/h2-3,6,9,15,21H,4-5,7-8,10-13H2,1H3
InChIKeyYCGXRBZEFPVHEG-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-methylacetamide
CID 55827853
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
N-[(2-fluorophenyl)methyl]-N-methyl-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 60505355
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62467093
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
2-[(2-fluorophenyl)methyl-methylamino]-1-[2-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 91765336
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574
1-(2-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052719
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 129380474
1-(3,4-difluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62466886

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide (CID 110918997) is N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1CCCC1CCCO.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is YCGXRBZEFPVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-19(12-14-6-2-3-9-16(14)18)17(22)13-20-10-4-7-15(20)8-5-11-21/h2-3,6,9,15,21H,4-5,7-8,10-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide?
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 308.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110918997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).