N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C19H24F2N2O2 — CID 84580122

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC2(c3ccc(F)cc3F)CC2C)CC1=O
InChIInChI=1S/C19H24F2N2O2/c1-11(2)23-9-13(6-17(23)24)18(25)22-10-19(8-12(19)3)15-5-4-14(20)7-16(15)21/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,22,25)
InChIKeyRQXNROSCVJBGRB-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.62
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 84580122) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID84580122
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC2(c3ccc(F)cc3F)CC2C)CC1=O
InChIInChI=1S/C19H24F2N2O2/c1-11(2)23-9-13(6-17(23)24)18(25)22-10-19(8-12(19)3)15-5-4-14(20)7-16(15)21/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,22,25)
InChIKeyRQXNROSCVJBGRB-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 84580122) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCC2(c3ccc(F)cc3F)CC2C)CC1=O.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RQXNROSCVJBGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-11(2)23-9-13(6-17(23)24)18(25)22-10-19(8-12(19)3)15-5-4-14(20)7-16(15)21/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,22,25).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 84580122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).