1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one

C12H14F2N2O — CID 54973009

IUPAC1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-2-15-10-5-6-16(12(10)17)11-7-8(13)3-4-9(11)14/h3-4,7,10,15H,2,5-6H2,1H3
InChIKeyDGVOJHRAPCPOBH-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.68
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one

1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one (PubChem CID 54973009) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
PubChem CID54973009
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-2-15-10-5-6-16(12(10)17)11-7-8(13)3-4-9(11)14/h3-4,7,10,15H,2,5-6H2,1H3
InChIKeyDGVOJHRAPCPOBH-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 103587567
2-[3-(ethylamino)-2-oxopiperidin-1-yl]-5-fluorobenzonitrile
CID 82685698
4-chloro-2-[3-(ethylamino)-2-oxopyrrolidin-1-yl]benzonitrile
CID 64919655
1-(2-chloro-4-methylphenyl)-3-(ethylamino)pyrrolidin-2-one
CID 54973272
3-(ethylamino)-1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 107335685
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
3-(ethylamino)-1-[2-(2-methoxyethyl)phenyl]pyrrolidin-2-one
CID 102906315
1-(4-bromo-2,5-difluorophenyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 107608068
1-(2-ethylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973363
3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
CID 55115356

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one (CID 54973009) is 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one is CCNC1CCN(c2cc(F)ccc2F)C1=O.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is DGVOJHRAPCPOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-15-10-5-6-16(12(10)17)11-7-8(13)3-4-9(11)14/h3-4,7,10,15H,2,5-6H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one?
1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 54973009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).