1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

C25H20F4N2O2 — CID 142502536

IUPAC1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C25H20F4N2O2/c1-25(2)18-8-7-14(23(32)30-12-17-20(28)10-16(26)11-21(17)29)9-22(18)31(24(25)33)13-15-5-3-4-6-19(15)27/h3-11H,12-13H2,1-2H3,(H,30,32)
InChIKeyOVILJCIMEJSQDQ-UHFFFAOYSA-N
MW456.44 g/mol
LogP5.00
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (PubChem CID 142502536) has the molecular formula C25H20F4N2O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
PubChem CID142502536
Molecular FormulaC25H20F4N2O2
Molecular Weight456.44 g/mol
Exact Mass456.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C25H20F4N2O2/c1-25(2)18-8-7-14(23(32)30-12-17-20(28)10-16(26)11-21(17)29)9-22(18)31(24(25)33)13-15-5-3-4-6-19(15)27/h3-11H,12-13H2,1-2H3,(H,30,32)
InChIKeyOVILJCIMEJSQDQ-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (CID 142502536) is 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is CC1(C)C(=O)N(Cc2ccccc2F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The InChIKey is OVILJCIMEJSQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2/c1-25(2)18-8-7-14(23(32)30-12-17-20(28)10-16(26)11-21(17)29)9-22(18)31(24(25)33)13-15-5-3-4-6-19(15)27/h3-11H,12-13H2,1-2H3,(H,30,32).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide has a molecular weight of 456.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 142502536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).