(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C16H21FN2O3 — CID 95972675

IUPAC(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Oc1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-3-12(22-14-7-5-4-6-13(14)17)9-18-16(21)11-8-15(20)19(2)10-11/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyMFOLGMDZPTVJTL-NWDGAFQWSA-N
MW308.35 g/mol
LogP1.58
Rot. Bonds6

About (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95972675) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95972675
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Oc1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-3-12(22-14-7-5-4-6-13(14)17)9-18-16(21)11-8-15(20)19(2)10-11/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyMFOLGMDZPTVJTL-NWDGAFQWSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
CID 97025731
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
N-[2-(2-fluorophenoxy)butyl]furan-3-carboxamide
CID 71979262
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95972675) is (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Oc1ccccc1F.
What is the InChIKey of (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MFOLGMDZPTVJTL-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-3-12(22-14-7-5-4-6-13(14)17)9-18-16(21)11-8-15(20)19(2)10-11/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)/t11-,12+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95972675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).