3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

C25H16F5N3O2 — CID 146592796

IUPAC3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C#N)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C25H16F5N3O2/c1-25(12-31)19-3-2-14(23(34)32-10-18-20(29)8-17(28)9-21(18)30)6-22(19)33(24(25)35)11-13-4-15(26)7-16(27)5-13/h2-9H,10-11H2,1H3,(H,32,34)
InChIKeyHXISJFMEQMBTOP-UHFFFAOYSA-N
MW485.41 g/mol
LogP4.64
Rot. Bonds5

About 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (PubChem CID 146592796) has the molecular formula C25H16F5N3O2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
PubChem CID146592796
Molecular FormulaC25H16F5N3O2
Molecular Weight485.41 g/mol
Exact Mass485.12
IUPAC Name3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C#N)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C25H16F5N3O2/c1-25(12-31)19-3-2-14(23(34)32-10-18-20(29)8-17(28)9-21(18)30)6-22(19)33(24(25)35)11-13-4-15(26)7-16(27)5-13/h2-9H,10-11H2,1H3,(H,32,34)
InChIKeyHXISJFMEQMBTOP-UHFFFAOYSA-N
XLogP4.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The IUPAC name of 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (CID 146592796) is 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The canonical SMILES for 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is CC1(C#N)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21.
What is the InChIKey of 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The InChIKey is HXISJFMEQMBTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F5N3O2/c1-25(12-31)19-3-2-14(23(34)32-10-18-20(29)8-17(28)9-21(18)30)6-22(19)33(24(25)35)11-13-4-15(26)7-16(27)5-13/h2-9H,10-11H2,1H3,(H,32,34).
What are the key properties of 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide has a molecular weight of 485.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 146592796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).