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

C26H21F4N3O3 — CID 170071729

IUPAC1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2c(F)cccc2C(N)=O)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C26H21F4N3O3/c1-26(2)18-7-6-13(24(35)32-11-16-20(29)9-14(27)10-21(16)30)8-22(18)33(25(26)36)12-17-15(23(31)34)4-3-5-19(17)28/h3-10H,11-12H2,1-2H3,(H2,31,34)(H,32,35)
InChIKeyOBYHAOGFZUVMNO-UHFFFAOYSA-N
MW499.46 g/mol
LogP4.10
Rot. Bonds6

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

1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (PubChem CID 170071729) has the molecular formula C26H21F4N3O3 and a molecular weight of 499.46 g/mol. Its IUPAC name is 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
PubChem CID170071729
Molecular FormulaC26H21F4N3O3
Molecular Weight499.46 g/mol
Exact Mass499.15
IUPAC Name1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2c(F)cccc2C(N)=O)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21
InChIInChI=1S/C26H21F4N3O3/c1-26(2)18-7-6-13(24(35)32-11-16-20(29)9-14(27)10-21(16)30)8-22(18)33(25(26)36)12-17-15(23(31)34)4-3-5-19(17)28/h3-10H,11-12H2,1-2H3,(H2,31,34)(H,32,35)
InChIKeyOBYHAOGFZUVMNO-UHFFFAOYSA-N
XLogP4.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 2-[[3,3-dimethyl-2-oxo-6-[(2,4,6-trifluorophenyl)methylcarbamoyl]indol-1-yl]methyl]-3-fluorobenzoate
CID 170074156
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
CID 142502484
1-[(3,5-difluorophenyl)methyl]-3-fluoro-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592779
1-[(4-azidophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592702
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-iodo-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 137367580
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(1S)-1-(2,4,6-trifluorophenyl)ethyl]indole-6-carboxamide
CID 170073824
1-[(2-cyano-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 137367683
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502538
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
(4S)-1-[(3-carbamoyl-2,6-difluorophenyl)methyl]-3,4-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 146546867

Frequently Asked Questions

What is the IUPAC name of 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The IUPAC name of 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (CID 170071729) is 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The canonical SMILES for 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is CC1(C)C(=O)N(Cc2c(F)cccc2C(N)=O)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21.
What is the InChIKey of 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The InChIKey is OBYHAOGFZUVMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N3O3/c1-26(2)18-7-6-13(24(35)32-11-16-20(29)9-14(27)10-21(16)30)8-22(18)33(25(26)36)12-17-15(23(31)34)4-3-5-19(17)28/h3-10H,11-12H2,1-2H3,(H2,31,34)(H,32,35).
What are the key properties of 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide has a molecular weight of 499.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 170071729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).