N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H21FN2O4 — CID 56783387

IUPACN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cc(F)ccc2OCC2CCCO2)CC1=O
InChIInChI=1S/C17H21FN2O4/c1-20-9-11(7-16(20)21)17(22)19-14-8-12(18)4-5-15(14)24-10-13-3-2-6-23-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,22)
InChIKeyUTYJOXBXEDJWSB-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.80
Rot. Bonds5

About N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 56783387) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID56783387
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2cc(F)ccc2OCC2CCCO2)CC1=O
InChIInChI=1S/C17H21FN2O4/c1-20-9-11(7-16(20)21)17(22)19-14-8-12(18)4-5-15(14)24-10-13-3-2-6-23-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,22)
InChIKeyUTYJOXBXEDJWSB-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 47071343
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
(3R,4S)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120931851
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 56783386
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 56783387) is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)Nc2cc(F)ccc2OCC2CCCO2)CC1=O.
What is the InChIKey of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UTYJOXBXEDJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-20-9-11(7-16(20)21)17(22)19-14-8-12(18)4-5-15(14)24-10-13-3-2-6-23-13/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H,19,22).
What are the key properties of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56783387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).