1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione

C23H16F3NO3 — CID 141372246

IUPAC1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H16F3NO3/c1-30-18-9-2-14(3-10-18)13-27-20-11-6-16(12-19(20)21(28)22(27)29)15-4-7-17(8-5-15)23(24,25)26/h2-12H,13H2,1H3
InChIKeyRKCYEFAWSDGUSD-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.11
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione

1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione (PubChem CID 141372246) has the molecular formula C23H16F3NO3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
PubChem CID141372246
Molecular FormulaC23H16F3NO3
Molecular Weight411.38 g/mol
Exact Mass411.11
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H16F3NO3/c1-30-18-9-2-14(3-10-18)13-27-20-11-6-16(12-19(20)21(28)22(27)29)15-4-7-17(8-5-15)23(24,25)26/h2-12H,13H2,1H3
InChIKeyRKCYEFAWSDGUSD-UHFFFAOYSA-N
XLogP5.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372263
1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372231
1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106
1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183089
5-[(4-methoxyphenyl)methyl]-9-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
CID 174190038
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
tert-butyl (E)-3-[1-[(4-methoxyphenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enoate
CID 73212377
5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52945621
1-[(4-phenoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44602489
1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 42624536
1-benzyl-6-(trifluoromethyl)indole-2,3-dione
CID 141454622
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione (CID 141372246) is 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione?
The InChIKey is RKCYEFAWSDGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO3/c1-30-18-9-2-14(3-10-18)13-27-20-11-6-16(12-19(20)21(28)22(27)29)15-4-7-17(8-5-15)23(24,25)26/h2-12H,13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione?
1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione has a molecular weight of 411.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione is sourced from PubChem (CID 141372246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).