N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide

C36H33FN2O3 — CID 143978908

IUPACN-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC(/C=C/c2ccccc2)CN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C36H33FN2O3/c1-35(33(40)38-30-16-20-32(21-17-30)42-31-18-14-29(37)15-19-31)24-27(13-12-26-8-4-2-5-9-26)25-39(35)34(41)36(22-23-36)28-10-6-3-7-11-28/h2-21,27H,22-25H2,1H3,(H,38,40)/b13-12+
InChIKeyBAQNZVPUZRBZCJ-OUKQBFOZSA-N
MW560.67 g/mol
LogP7.61
Rot. Bonds8

About N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide

N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide (PubChem CID 143978908) has the molecular formula C36H33FN2O3 and a molecular weight of 560.67 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide
PubChem CID143978908
Molecular FormulaC36H33FN2O3
Molecular Weight560.67 g/mol
Exact Mass560.25
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC(/C=C/c2ccccc2)CN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C36H33FN2O3/c1-35(33(40)38-30-16-20-32(21-17-30)42-31-18-14-29(37)15-19-31)24-27(13-12-26-8-4-2-5-9-26)25-39(35)34(41)36(22-23-36)28-10-6-3-7-11-28/h2-21,27H,22-25H2,1H3,(H,38,40)/b13-12+
InChIKeyBAQNZVPUZRBZCJ-OUKQBFOZSA-N
XLogP7.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902957
N-[(2S)-1-(4-methoxyanilino)pentan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 9913263
N-[(2S)-1-(4-methoxyanilino)butan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 10367515
N-[(2S)-1-(4-methoxyanilino)hexan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 10458632
N-[(2R)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 44408912
N-[(2S)-1-(4-methoxyanilino)propan-2-yl]-1-(3-phenylanilino)cyclohexane-1-carboxamide
CID 44408945
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 8158990
N-(4-ethoxyphenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 9550641
1-(Biphenyl-3-ylamino)-cyclohexanecarboxylic acid [2-(4-methoxy-phenylamino)-ethyl]-amide
CID 44408707
1-(Biphenyl-4-ylamino)-cyclohexanecarboxylic acid [2-(4-methoxy-phenylamino)-ethyl]-amide
CID 44408752
2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 46902956

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide (CID 143978908) is N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide is CC1(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)CC(/C=C/c2ccccc2)CN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide?
The InChIKey is BAQNZVPUZRBZCJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C36H33FN2O3/c1-35(33(40)38-30-16-20-32(21-17-30)42-31-18-14-29(37)15-19-31)24-27(13-12-26-8-4-2-5-9-26)25-39(35)34(41)36(22-23-36)28-10-6-3-7-11-28/h2-21,27H,22-25H2,1H3,(H,38,40)/b13-12+.
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide?
N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide has a molecular weight of 560.67 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-2-methyl-1-(1-phenylcyclopropanecarbonyl)-4-[(E)-2-phenylethenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143978908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).