2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide

C18H19FN2O — CID 110601869

IUPAC2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c19-15-10-8-14(9-11-15)13-17-7-4-12-21(17)18(22)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)
InChIKeyZICGQKZZHSUFGP-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.06
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide

2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 110601869) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID110601869
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c19-15-10-8-14(9-11-15)13-17-7-4-12-21(17)18(22)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)
InChIKeyZICGQKZZHSUFGP-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-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

2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 91479957
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 47069538
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
(2S)-2-benzyl-N-[4-(cyanomethylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 100696892
2-benzyl-N-[4-(cyanomethylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 119035124
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-benzyl-N-phenylpyrrolidine-1-carbothioamide
CID 134100768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide (CID 110601869) is 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is ZICGQKZZHSUFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-10-8-14(9-11-15)13-17-7-4-12-21(17)18(22)20-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide?
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110601869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).