4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide

C14H25F2N3O — CID 120955151

IUPAC4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNC(=O)C1CC(F)(F)CN1
InChIInChI=1S/C14H25F2N3O/c1-10(2)8-19-5-3-4-11(19)7-17-13(20)12-6-14(15,16)9-18-12/h10-12,18H,3-9H2,1-2H3,(H,17,20)/t11-,12?/m1/s1
InChIKeyZHCIUYTXOAZUAE-JHJMLUEUSA-N
MW289.37 g/mol
LogP1.22
Rot. Bonds5

About 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 120955151) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID120955151
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H]1CNC(=O)C1CC(F)(F)CN1
InChIInChI=1S/C14H25F2N3O/c1-10(2)8-19-5-3-4-11(19)7-17-13(20)12-6-14(15,16)9-18-12/h10-12,18H,3-9H2,1-2H3,(H,17,20)/t11-,12?/m1/s1
InChIKeyZHCIUYTXOAZUAE-JHJMLUEUSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499715
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
5-iodo-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
CID 71844646
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499738
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109490230
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide (CID 120955151) is 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide is CC(C)CN1CCC[C@@H]1CNC(=O)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZHCIUYTXOAZUAE-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-10(2)8-19-5-3-4-11(19)7-17-13(20)12-6-14(15,16)9-18-12/h10-12,18H,3-9H2,1-2H3,(H,17,20)/t11-,12?/m1/s1.
What are the key properties of 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120955151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).