2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

C25H22F2N2O3 — CID 24967029

IUPAC2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccc(F)c(F)c1)C2C(=O)NCCc1ccccc1
InChIInChI=1S/C25H22F2N2O3/c1-15-21(30)10-8-18-22(15)25(32)29(14-17-7-9-19(26)20(27)13-17)23(18)24(31)28-12-11-16-5-3-2-4-6-16/h2-10,13,23,30H,11-12,14H2,1H3,(H,28,31)
InChIKeyDVBSFWHQOGQICS-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.03
Rot. Bonds6

About 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (PubChem CID 24967029) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
PubChem CID24967029
Molecular FormulaC25H22F2N2O3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccc(F)c(F)c1)C2C(=O)NCCc1ccccc1
InChIInChI=1S/C25H22F2N2O3/c1-15-21(30)10-8-18-22(15)25(32)29(14-17-7-9-19(26)20(27)13-17)23(18)24(31)28-12-11-16-5-3-2-4-6-16/h2-10,13,23,30H,11-12,14H2,1H3,(H,28,31)
InChIKeyDVBSFWHQOGQICS-UHFFFAOYSA-N
XLogP4.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (CID 24967029) is 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is Cc1c(O)ccc2c1C(=O)N(Cc1ccc(F)c(F)c1)C2C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The InChIKey is DVBSFWHQOGQICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c1-15-21(30)10-8-18-22(15)25(32)29(14-17-7-9-19(26)20(27)13-17)23(18)24(31)28-12-11-16-5-3-2-4-6-16/h2-10,13,23,30H,11-12,14H2,1H3,(H,28,31).
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-5-hydroxy-4-methyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 24967029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).