N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide

C16H21FN2O2 — CID 79539441

IUPACN-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H21FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-15,20H,2-3,6-9H2,(H,18,21)
InChIKeyZCXWAOUVPCSSHC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.98
Rot. Bonds2

About N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide

N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide (PubChem CID 79539441) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
PubChem CID79539441
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H21FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-15,20H,2-3,6-9H2,(H,18,21)
InChIKeyZCXWAOUVPCSSHC-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide (CID 79539441) is N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCCC1C1CCCC1O.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide?
The InChIKey is ZCXWAOUVPCSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-11-4-1-5-12(10-11)18-16(21)19-9-3-7-14(19)13-6-2-8-15(13)20/h1,4-5,10,13-15,20H,2-3,6-9H2,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide?
N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79539441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).