1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide

C26H31FN2O2 — CID 110232783

IUPAC1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C26H31FN2O2/c1-5-15-28-23(30)26(14-16-29(18-26)24(31)25(2,3)4)17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)27/h5-13H,1,14-18H2,2-4H3,(H,28,30)
InChIKeyDTHFGKMHCDKWTL-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.60
Rot. Bonds6

About 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 110232783) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID110232783
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C26H31FN2O2/c1-5-15-28-23(30)26(14-16-29(18-26)24(31)25(2,3)4)17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)27/h5-13H,1,14-18H2,2-4H3,(H,28,30)
InChIKeyDTHFGKMHCDKWTL-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110232781
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92592194
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
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230989
(3R)-1-propanoyl-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850919
(3S)-1-benzoyl-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548584
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
(3R)-1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850985
(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
(3R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548537

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide (CID 110232783) is 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is DTHFGKMHCDKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c1-5-15-28-23(30)26(14-16-29(18-26)24(31)25(2,3)4)17-19-10-6-7-11-20(19)21-12-8-9-13-22(21)27/h5-13H,1,14-18H2,2-4H3,(H,28,30).
What are the key properties of 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 422.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110232783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).