3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide

C27H27FN2O2 — CID 110231021

IUPAC3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C27H27FN2O2/c28-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-27(26(29)32)16-17-30(19-27)25(31)15-14-20-8-2-1-3-9-20/h1-13H,14-19H2,(H2,29,32)
InChIKeyBNAXAODCIHLJOU-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.37
Rot. Bonds7

About 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide

3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 110231021) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID110231021
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C27H27FN2O2/c28-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-27(26(29)32)16-17-30(19-27)25(31)15-14-20-8-2-1-3-9-20/h1-13H,14-19H2,(H2,29,32)
InChIKeyBNAXAODCIHLJOU-UHFFFAOYSA-N
XLogP4.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
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
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
1-[3-(4-methoxyphenyl)propanoyl]-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230820
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 92575779
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 110230994
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92592194
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
(3S)-1-[2-(4-ethoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92593612
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide (CID 110231021) is 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide is NC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is BNAXAODCIHLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2/c28-24-13-7-6-12-23(24)22-11-5-4-10-21(22)18-27(26(29)32)16-17-30(19-27)25(31)15-14-20-8-2-1-3-9-20/h1-13H,14-19H2,(H2,29,32).
What are the key properties of 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide?
3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).