5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide

C38H35FN2O4 — CID 142640579

IUPAC5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCC(c1ccccc1)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C38H35FN2O4/c1-25(26-11-5-2-6-12-26)36-35(38(44)40-30-15-9-4-10-16-30)34(27-13-7-3-8-14-27)37(28-17-19-29(39)20-18-28)41(36)22-21-32-23-31(42)24-33(43)45-32/h2-20,25,31-32,42H,21-24H2,1H3,(H,40,44)/t25?,31-,32-/m1/s1
InChIKeyLHNVILFJDJBCCD-AGINXVEKSA-N
MW602.71 g/mol
LogP7.82
Rot. Bonds9

About 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide

5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 142640579) has the molecular formula C38H35FN2O4 and a molecular weight of 602.71 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID142640579
Molecular FormulaC38H35FN2O4
Molecular Weight602.71 g/mol
Exact Mass602.26
IUPAC Name5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCC(c1ccccc1)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C38H35FN2O4/c1-25(26-11-5-2-6-12-26)36-35(38(44)40-30-15-9-4-10-16-30)34(27-13-7-3-8-14-27)37(28-17-19-29(39)20-18-28)41(36)22-21-32-23-31(42)24-33(43)45-32/h2-20,25,31-32,42H,21-24H2,1H3,(H,40,44)/t25?,31-,32-/m1/s1
InChIKeyLHNVILFJDJBCCD-AGINXVEKSA-N
XLogP7.82
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.71
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide (CID 142640579) is 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide is CC(c1ccccc1)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is LHNVILFJDJBCCD-AGINXVEKSA-N. The full InChI is InChI=1S/C38H35FN2O4/c1-25(26-11-5-2-6-12-26)36-35(38(44)40-30-15-9-4-10-16-30)34(27-13-7-3-8-14-27)37(28-17-19-29(39)20-18-28)41(36)22-21-32-23-31(42)24-33(43)45-32/h2-20,25,31-32,42H,21-24H2,1H3,(H,40,44)/t25?,31-,32-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide?
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 602.71 g/mol, XLogP of 7.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 142640579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).