3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide

C25H31FN2O2 — CID 110230994

IUPAC3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1
InChIInChI=1S/C25H31FN2O2/c1-18(2)15-23(29)28-14-13-25(17-28,24(30)27(3)4)16-19-9-5-6-10-20(19)21-11-7-8-12-22(21)26/h5-12,18H,13-17H2,1-4H3
InChIKeyUAZUOEUULHSRNV-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.39
Rot. Bonds6

About 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide

3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide (PubChem CID 110230994) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
PubChem CID110230994
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1
InChIInChI=1S/C25H31FN2O2/c1-18(2)15-23(29)28-14-13-25(17-28,24(30)27(3)4)16-19-9-5-6-10-20(19)21-11-7-8-12-22(21)26/h5-12,18H,13-17H2,1-4H3
InChIKeyUAZUOEUULHSRNV-UHFFFAOYSA-N
XLogP4.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92578856
(3S)-1-(3-fluorobenzoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605392
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92592194
3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
CID 110231021
N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 95805699
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide (CID 110230994) is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide is CC(C)CC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)N(C)C)C1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide?
The InChIKey is UAZUOEUULHSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-18(2)15-23(29)28-14-13-25(17-28,24(30)27(3)4)16-19-9-5-6-10-20(19)21-11-7-8-12-22(21)26/h5-12,18H,13-17H2,1-4H3.
What are the key properties of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide?
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).