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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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).