N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C25H30FN3O2 — CID 43042241

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1)C1CCCCC1
InChIInChI=1S/C25H30FN3O2/c1-28(20-10-3-2-4-11-20)16-18-9-5-7-13-22(18)27-25(31)19-15-24(30)29(17-19)23-14-8-6-12-21(23)26/h5-9,12-14,19-20H,2-4,10-11,15-17H2,1H3,(H,27,31)
InChIKeyBFAYRXNWEGTKIL-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43042241) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43042241
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1)C1CCCCC1
InChIInChI=1S/C25H30FN3O2/c1-28(20-10-3-2-4-11-20)16-18-9-5-7-13-22(18)27-25(31)19-15-24(30)29(17-19)23-14-8-6-12-21(23)26/h5-9,12-14,19-20H,2-4,10-11,15-17H2,1H3,(H,27,31)
InChIKeyBFAYRXNWEGTKIL-UHFFFAOYSA-N
XLogP4.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-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

(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
1-(2-fluorophenyl)-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 51176548
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55358717
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30844050
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55898838
(3S)-1-(2-fluorophenyl)-N-(1-methylindol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52898685
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 43042241) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1)C1CCCCC1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BFAYRXNWEGTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-28(20-10-3-2-4-11-20)16-18-9-5-7-13-22(18)27-25(31)19-15-24(30)29(17-19)23-14-8-6-12-21(23)26/h5-9,12-14,19-20H,2-4,10-11,15-17H2,1H3,(H,27,31).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43042241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).