N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide

C17H24F2N2O — CID 155948209

IUPACN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide
SMILESCCC(=O)NC(c1ccc(F)c(F)c1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H24F2N2O/c1-4-15(22)20-16(12-7-8-13(18)14(19)11-12)17(2,3)21-9-5-6-10-21/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyFYPATGYAAAQBHD-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide

N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide (PubChem CID 155948209) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide
PubChem CID155948209
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide
SMILESCCC(=O)NC(c1ccc(F)c(F)c1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H24F2N2O/c1-4-15(22)20-16(12-7-8-13(18)14(19)11-12)17(2,3)21-9-5-6-10-21/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,22)
InChIKeyFYPATGYAAAQBHD-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide (CID 155948209) is N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide is CCC(=O)NC(c1ccc(F)c(F)c1)C(C)(C)N1CCCC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide?
The InChIKey is FYPATGYAAAQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-4-15(22)20-16(12-7-8-13(18)14(19)11-12)17(2,3)21-9-5-6-10-21/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide?
N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide has a molecular weight of 310.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide is sourced from PubChem (CID 155948209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).