4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide

C25H18F3N3O — CID 165013877

IUPAC4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
SMILESCc1c2c(cc(C(F)(F)F)c1C(=O)Nc1ccc3c(c1)C(c1ccccc1)=NC3)C=NC2
InChIInChI=1S/C25H18F3N3O/c1-14-20-13-29-11-17(20)9-21(25(26,27)28)22(14)24(32)31-18-8-7-16-12-30-23(19(16)10-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,31,32)
InChIKeyKCNMBAYURMFIHP-UHFFFAOYSA-N
MW433.43 g/mol
LogP5.55
Rot. Bonds3

About 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide

4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide (PubChem CID 165013877) has the molecular formula C25H18F3N3O and a molecular weight of 433.43 g/mol. Its IUPAC name is 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
PubChem CID165013877
Molecular FormulaC25H18F3N3O
Molecular Weight433.43 g/mol
Exact Mass433.14
IUPAC Name4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
SMILESCc1c2c(cc(C(F)(F)F)c1C(=O)Nc1ccc3c(c1)C(c1ccccc1)=NC3)C=NC2
InChIInChI=1S/C25H18F3N3O/c1-14-20-13-29-11-17(20)9-21(25(26,27)28)22(14)24(32)31-18-8-7-16-12-30-23(19(16)10-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,31,32)
InChIKeyKCNMBAYURMFIHP-UHFFFAOYSA-N
XLogP5.55
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-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-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
CID 165090599
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
N-(1H-isoindol-5-yl)acetamide
CID 142070136
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481
N-[3-(2-methoxyphenyl)-1H-isoindol-5-yl]-5,7-dimethyltriazolo[1,5-a]pyridine-6-carboxamide
CID 165060196
N-(3-bromo-1H-isoindol-5-yl)acetamide
CID 164986479
2,3,4,5-tetrabromo-6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 88887337

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide (CID 165013877) is 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide is Cc1c2c(cc(C(F)(F)F)c1C(=O)Nc1ccc3c(c1)C(c1ccccc1)=NC3)C=NC2.
What is the InChIKey of 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The InChIKey is KCNMBAYURMFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O/c1-14-20-13-29-11-17(20)9-21(25(26,27)28)22(14)24(32)31-18-8-7-16-12-30-23(19(16)10-18)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,31,32).
What are the key properties of 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide is sourced from PubChem (CID 165013877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).