N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C14H19FN2O2 — CID 62014163

IUPACN-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1CO)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c15-12-5-1-2-6-13(12)16-14(19)7-9-17-8-3-4-11(17)10-18/h1-2,5-6,11,18H,3-4,7-10H2,(H,16,19)
InChIKeyQFADDGRIABOLRF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.61
Rot. Bonds5

About N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 62014163) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID62014163
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1CO)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c15-12-5-1-2-6-13(12)16-14(19)7-9-17-8-3-4-11(17)10-18/h1-2,5-6,11,18H,3-4,7-10H2,(H,16,19)
InChIKeyQFADDGRIABOLRF-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 62014163) is N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCCC1CO)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is QFADDGRIABOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-5-1-2-6-13(12)16-14(19)7-9-17-8-3-4-11(17)10-18/h1-2,5-6,11,18H,3-4,7-10H2,(H,16,19).
What are the key properties of N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 266.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 62014163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).