N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

C25H27F3N2O — CID 170209413

IUPACN-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESCCCC1CC(C)(NC(=O)c2cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c23)C1
InChIInChI=1S/C25H27F3N2O/c1-3-5-18-14-24(2,15-18)29-23(31)21-7-4-6-19-12-13-30(22(19)21)16-17-8-10-20(11-9-17)25(26,27)28/h4,6-13,18H,3,5,14-16H2,1-2H3,(H,29,31)
InChIKeyYVJPGXJPAVLYTK-UHFFFAOYSA-N
MW428.50 g/mol
LogP6.41
Rot. Bonds6

About N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (PubChem CID 170209413) has the molecular formula C25H27F3N2O and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
PubChem CID170209413
Molecular FormulaC25H27F3N2O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESCCCC1CC(C)(NC(=O)c2cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c23)C1
InChIInChI=1S/C25H27F3N2O/c1-3-5-18-14-24(2,15-18)29-23(31)21-7-4-6-19-12-13-30(22(19)21)16-17-8-10-20(11-9-17)25(26,27)28/h4,6-13,18H,3,5,14-16H2,1-2H3,(H,29,31)
InChIKeyYVJPGXJPAVLYTK-UHFFFAOYSA-N
XLogP6.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 158072256
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[2.3]hexane-5-carboxylic acid
CID 155486123
[4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]phenyl] formate
CID 88552390
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 175347600
2-[(2S,4S)-3-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]acetic acid
CID 170209739
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
N-ethylethanamine;4-[1-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 25003432
(2R)-2-[[3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-c]pyridine-7-carbonyl]amino]cyclobutyl]methyl]butanoic acid
CID 166889366
tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
CID 158382820
(3R,4S,5S)-8-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]tetracyclo[3.3.0.01,6.03,6]octane-4-carboxylic acid
CID 162609867
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 160685609
2-[[1-[(4-chlorophenyl)methyl]indole-7-carbonyl]amino]hexanoic acid
CID 70799090

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The IUPAC name of N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (CID 170209413) is N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.
What is the SMILES notation for N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The canonical SMILES for N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is CCCC1CC(C)(NC(=O)c2cccc3ccn(Cc4ccc(C(F)(F)F)cc4)c23)C1.
What is the InChIKey of N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The InChIKey is YVJPGXJPAVLYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O/c1-3-5-18-14-24(2,15-18)29-23(31)21-7-4-6-19-12-13-30(22(19)21)16-17-8-10-20(11-9-17)25(26,27)28/h4,6-13,18H,3,5,14-16H2,1-2H3,(H,29,31).
What are the key properties of N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is sourced from PubChem (CID 170209413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).