1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide

C23H27FN2O2 — CID 110230982

IUPAC1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)NC)C1
InChIInChI=1S/C23H27FN2O2/c1-3-8-21(27)26-14-13-23(16-26,22(28)25-2)15-17-9-4-5-10-18(17)19-11-6-7-12-20(19)24/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,28)
InChIKeyAAOQWYOSLXDWCE-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.80
Rot. Bonds6

About 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide

1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 110230982) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID110230982
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)NC)C1
InChIInChI=1S/C23H27FN2O2/c1-3-8-21(27)26-14-13-23(16-26,22(28)25-2)15-17-9-4-5-10-18(17)19-11-6-7-12-20(19)24/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,28)
InChIKeyAAOQWYOSLXDWCE-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230989
(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
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 110230994
1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110232783
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
CID 92609375
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231154

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide (CID 110230982) is 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide is CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2F)(C(=O)NC)C1.
What is the InChIKey of 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is AAOQWYOSLXDWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-3-8-21(27)26-14-13-23(16-26,22(28)25-2)15-17-9-4-5-10-18(17)19-11-6-7-12-20(19)24/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,28).
What are the key properties of 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110230982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).