N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide

C25H24F4N2O — CID 42789788

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c2c(n(Cc3cccc(C(F)(F)F)c3)c1C(=O)NCc1ccc(F)cc1)CCCC2
InChIInChI=1S/C25H24F4N2O/c1-16-21-7-2-3-8-22(21)31(15-18-5-4-6-19(13-18)25(27,28)29)23(16)24(32)30-14-17-9-11-20(26)12-10-17/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,30,32)
InChIKeyCZNRVDJGAOSBKQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP5.81
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 42789788) has the molecular formula C25H24F4N2O and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID42789788
Molecular FormulaC25H24F4N2O
Molecular Weight444.47 g/mol
Exact Mass444.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c2c(n(Cc3cccc(C(F)(F)F)c3)c1C(=O)NCc1ccc(F)cc1)CCCC2
InChIInChI=1S/C25H24F4N2O/c1-16-21-7-2-3-8-22(21)31(15-18-5-4-6-19(13-18)25(27,28)29)23(16)24(32)30-14-17-9-11-20(26)12-10-17/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,30,32)
InChIKeyCZNRVDJGAOSBKQ-UHFFFAOYSA-N
XLogP5.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46948557
3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 42789806
N-[(4-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxamide
CID 46004486
1-[(3-methoxyphenyl)methyl]-3-methyl-N-propan-2-yl-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42789664
1,5-diethyl-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497558
N-[(4-fluorophenyl)methyl]-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077354
3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 46127402
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523787
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20876874

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide (CID 42789788) is N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide is Cc1c2c(n(Cc3cccc(C(F)(F)F)c3)c1C(=O)NCc1ccc(F)cc1)CCCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is CZNRVDJGAOSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O/c1-16-21-7-2-3-8-22(21)31(15-18-5-4-6-19(13-18)25(27,28)29)23(16)24(32)30-14-17-9-11-20(26)12-10-17/h4-6,9-13H,2-3,7-8,14-15H2,1H3,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 42789788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).