1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H19FN2O3 — CID 42959728

IUPAC1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19FN2O3/c17-12-2-1-3-14(9-12)22-7-6-18-16(21)11-8-15(20)19(10-11)13-4-5-13/h1-3,9,11,13H,4-8,10H2,(H,18,21)
InChIKeyWPCLHZNGGNTIIQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.33
Rot. Bonds6

About 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42959728) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42959728
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19FN2O3/c17-12-2-1-3-14(9-12)22-7-6-18-16(21)11-8-15(20)19(10-11)13-4-5-13/h1-3,9,11,13H,4-8,10H2,(H,18,21)
InChIKeyWPCLHZNGGNTIIQ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
(3S)-1-cyclopropyl-5-oxo-N-[3-(2-phenylethoxy)propyl]pyrrolidine-3-carboxamide
CID 94627844
(3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 51954017
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45227376
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42959728) is 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCOc1cccc(F)c1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPCLHZNGGNTIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-12-2-1-3-14(9-12)22-7-6-18-16(21)11-8-15(20)19(10-11)13-4-5-13/h1-3,9,11,13H,4-8,10H2,(H,18,21).
What are the key properties of 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42959728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).