3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H14ClF3N2O2 — CID 84586099

IUPAC3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C13H14ClF3N2O2/c1-21-11-3-2-8(14)6-10(11)18-9-4-5-19(12(9)20)7-13(15,16)17/h2-3,6,9,18H,4-5,7H2,1H3
InChIKeyWMZLSGHWDQCMOZ-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.92
Rot. Bonds4

About 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 84586099) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID84586099
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC Name3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOc1ccc(Cl)cc1NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C13H14ClF3N2O2/c1-21-11-3-2-8(14)6-10(11)18-9-4-5-19(12(9)20)7-13(15,16)17/h2-3,6,9,18H,4-5,7H2,1H3
InChIKeyWMZLSGHWDQCMOZ-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975576
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
3-(3,5-dimethoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;(Z)-1-fluoroprop-1-ene
CID 176696160
6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133309917
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
CID 146573113
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(2-tert-butylcyclohexyl)-5-chloro-2-methoxyaniline
CID 43095755
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99820138
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
5-chloro-N-[4-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]cyclohexyl]-2-methoxyaniline
CID 143225603

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 84586099) is 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COc1ccc(Cl)cc1NC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is WMZLSGHWDQCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-21-11-3-2-8(14)6-10(11)18-9-4-5-19(12(9)20)7-13(15,16)17/h2-3,6,9,18H,4-5,7H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 322.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 84586099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).