3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

C18H25FN2O2 — CID 72839996

IUPAC3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@@]1(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-13-11-21(12-18(13,23)15-4-5-15)9-8-17(22)20-10-14-2-6-16(19)7-3-14/h2-3,6-7,13,15,23H,4-5,8-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeyKUIQXCDBFPKTMO-ACJLOTCBSA-N
MW320.41 g/mol
LogP1.92
Rot. Bonds6

About 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 72839996) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID72839996
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@@]1(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-13-11-21(12-18(13,23)15-4-5-15)9-8-17(22)20-10-14-2-6-16(19)7-3-14/h2-3,6-7,13,15,23H,4-5,8-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeyKUIQXCDBFPKTMO-ACJLOTCBSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 118884327
N-(4-fluorobenzyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3240092
N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 118884346
1-(Cyclopropylmethyl)-3-{[(3,5-difluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45228259
(3R,4S)-1-benzyl-4-(butylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 46201146
1-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46705251
N1-(2-cyclopropyl-2-hydroxypropyl)-N2-(4-fluorobenzyl)oxalamide
CID 52992795
(3R*,4R*)-1-[N-(2-fluorobenzyl)-N-methylglycyl]-3,4-dimethyl-3-pyrrolidinol
CID 72845351
N-benzyl-3-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N-methylpropanamide
CID 72891812
N-(2-fluorobenzyl)-2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]acetamide
CID 72901649
N-(2-chlorobenzyl)-3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]propanamide
CID 72901991
N-[4-(Hydroxymethyl)-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-YL]cyclopropanecarboxamide
CID 110202598

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 72839996) is 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is C[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@@]1(O)C1CC1.
What is the InChIKey of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is KUIQXCDBFPKTMO-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-11-21(12-18(13,23)15-4-5-15)9-8-17(22)20-10-14-2-6-16(19)7-3-14/h2-3,6-7,13,15,23H,4-5,8-12H2,1H3,(H,20,22)/t13-,18+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 320.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 72839996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).