(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide

C22H25FN2O2 — CID 92592194

IUPAC(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(C)=O)C1
InChIInChI=1S/C22H25FN2O2/c1-3-24-21(27)22(12-13-25(15-22)16(2)26)14-17-8-4-5-9-18(17)19-10-6-7-11-20(19)23/h4-11H,3,12-15H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyLTGMYKKKUAJZTK-QFIPXVFZSA-N
MW368.45 g/mol
LogP3.41
Rot. Bonds5

About (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide

(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 92592194) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID92592194
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(C)=O)C1
InChIInChI=1S/C22H25FN2O2/c1-3-24-21(27)22(12-13-25(15-22)16(2)26)14-17-8-4-5-9-18(17)19-10-6-7-11-20(19)23/h4-11H,3,12-15H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyLTGMYKKKUAJZTK-QFIPXVFZSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110232783
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230989
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579132
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110232781
(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579949

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 92592194) is (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(C)=O)C1.
What is the InChIKey of (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is LTGMYKKKUAJZTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-24-21(27)22(12-13-25(15-22)16(2)26)14-17-8-4-5-9-18(17)19-10-6-7-11-20(19)23/h4-11H,3,12-15H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 368.45 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 (3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).