1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H24F2N2O2 — CID 167916030

IUPAC1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C1CC1)N1CC(C(=O)N(C)CCc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C19H24F2N2O2/c1-12(13-3-4-13)23-11-15(9-18(23)24)19(25)22(2)8-7-14-5-6-16(20)10-17(14)21/h5-6,10,12-13,15H,3-4,7-9,11H2,1-2H3
InChIKeyZUWPWIBOMDNWTO-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.61
Rot. Bonds6

About 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 167916030) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID167916030
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C1CC1)N1CC(C(=O)N(C)CCc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C19H24F2N2O2/c1-12(13-3-4-13)23-11-15(9-18(23)24)19(25)22(2)8-7-14-5-6-16(20)10-17(14)21/h5-6,10,12-13,15H,3-4,7-9,11H2,1-2H3
InChIKeyZUWPWIBOMDNWTO-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 167916030) is 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CC(C1CC1)N1CC(C(=O)N(C)CCc2ccc(F)cc2F)CC1=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZUWPWIBOMDNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-12(13-3-4-13)23-11-15(9-18(23)24)19(25)22(2)8-7-14-5-6-16(20)10-17(14)21/h5-6,10,12-13,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).