N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

C25H25FN2O2 — CID 45179274

IUPACN-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1ccccc1F
InChIInChI=1S/C25H25FN2O2/c26-22-8-4-3-7-21(22)17-27-23(29)11-13-25(14-12-24(30)28-25)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2,(H,27,29)(H,28,30)
InChIKeyBDZBVCOMEZHGML-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.27
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45179274) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45179274
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1ccccc1F
InChIInChI=1S/C25H25FN2O2/c26-22-8-4-3-7-21(22)17-27-23(29)11-13-25(14-12-24(30)28-25)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2,(H,27,29)(H,28,30)
InChIKeyBDZBVCOMEZHGML-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide 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-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91795378
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 42210774
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135907220
N-[2-(2-fluorophenyl)ethyl]-3-[(2S)-2-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26275115
N-[2-(2-fluorophenyl)ethyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 26403121
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45195292
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42321392
N-[(2-fluorophenyl)methyl]-2-naphthalen-2-ylacetamide
CID 8870478
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
CID 26281257

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide (CID 45179274) is N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is O=C(CCC1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is BDZBVCOMEZHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-8-4-3-7-21(22)17-27-23(29)11-13-25(14-12-24(30)28-25)16-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15H,11-14,16-17H2,(H,27,29)(H,28,30).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45179274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).