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

C24H16F3N3O — CID 165090599

IUPACN-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccccc1)=NC2)c1cc2c(cc1C(F)(F)F)C=NC2
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)21-9-17-12-28-11-16(17)8-20(21)23(31)30-18-7-6-15-13-29-22(19(15)10-18)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,30,31)
InChIKeyWQCGVHIPQRJBBN-UHFFFAOYSA-N
MW419.41 g/mol
LogP5.24
Rot. Bonds3

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

N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide (PubChem CID 165090599) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
PubChem CID165090599
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC NameN-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(c1ccccc1)=NC2)c1cc2c(cc1C(F)(F)F)C=NC2
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)21-9-17-12-28-11-16(17)8-20(21)23(31)30-18-7-6-15-13-29-22(19(15)10-18)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,30,31)
InChIKeyWQCGVHIPQRJBBN-UHFFFAOYSA-N
XLogP5.24
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
CID 165013877
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-phenyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 139919278
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-fluoro-N-[3-[(6-methyl-1H-isoindol-5-yl)sulfanyl]phenyl]benzamide
CID 158874074
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The IUPAC name of N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide (CID 165090599) is N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The canonical SMILES for N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide is O=C(Nc1ccc2c(c1)C(c1ccccc1)=NC2)c1cc2c(cc1C(F)(F)F)C=NC2.
What is the InChIKey of N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
The InChIKey is WQCGVHIPQRJBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c25-24(26,27)21-9-17-12-28-11-16(17)8-20(21)23(31)30-18-7-6-15-13-29-22(19(15)10-18)14-4-2-1-3-5-14/h1-10,12H,11,13H2,(H,30,31).
What are the key properties of N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide?
N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide is sourced from PubChem (CID 165090599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).