N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide

C16H20F2N2O2 — CID 110903395

IUPACN-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O2/c17-10-3-6-12(13(18)8-10)15(21)9-20-7-1-2-14(20)16(22)19-11-4-5-11/h3,6,8,11,14-15,21H,1-2,4-5,7,9H2,(H,19,22)
InChIKeyAUOTVCKGNZNOMM-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.74
Rot. Bonds5

About N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide (PubChem CID 110903395) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
PubChem CID110903395
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O2/c17-10-3-6-12(13(18)8-10)15(21)9-20-7-1-2-14(20)16(22)19-11-4-5-11/h3,6,8,11,14-15,21H,1-2,4-5,7,9H2,(H,19,22)
InChIKeyAUOTVCKGNZNOMM-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
(2S)-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174909490
5-[1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000127
(1R)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95569764
(1S)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426169
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 110903400
(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316
(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 95626421
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide (CID 110903395) is N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1CC(O)c1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
The InChIKey is AUOTVCKGNZNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-10-3-6-12(13(18)8-10)15(21)9-20-7-1-2-14(20)16(22)19-11-4-5-11/h3,6,8,11,14-15,21H,1-2,4-5,7,9H2,(H,19,22).
What are the key properties of N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110903395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).