4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide

C24H27F3N2O3 — CID 167467744

IUPAC4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
SMILESCC1CCC(O)CC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H13F3N2O2.C7H14O/c18-17(19,20)12-3-1-11(2-4-12)9-24-13-5-6-15-14(7-13)16(8-21-15)22-10-23;1-6-2-4-7(8)5-3-6/h1-8,10,21H,9H2,(H,22,23);6-8H,2-5H2,1H3
InChIKeyGBFBDYPHUFGBSR-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.89
Rot. Bonds5

About 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide

4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide (PubChem CID 167467744) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide.

Molecular Properties

Compound Name4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
PubChem CID167467744
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
SMILESCC1CCC(O)CC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H13F3N2O2.C7H14O/c18-17(19,20)12-3-1-11(2-4-12)9-24-13-5-6-15-14(7-13)16(8-21-15)22-10-23;1-6-2-4-7(8)5-3-6/h1-8,10,21H,9H2,(H,22,23);6-8H,2-5H2,1H3
InChIKeyGBFBDYPHUFGBSR-UHFFFAOYSA-N
XLogP5.89
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467992
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
(2R,4S)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059461
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986863
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The IUPAC name of 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide (CID 167467744) is 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide.
What is the SMILES notation for 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The canonical SMILES for 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide is CC1CCC(O)CC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The InChIKey is GBFBDYPHUFGBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2.C7H14O/c18-17(19,20)12-3-1-11(2-4-12)9-24-13-5-6-15-14(7-13)16(8-21-15)22-10-23;1-6-2-4-7(8)5-3-6/h1-8,10,21H,9H2,(H,22,23);6-8H,2-5H2,1H3.
What are the key properties of 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide has a molecular weight of 448.49 g/mol, XLogP of 5.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide is sourced from PubChem (CID 167467744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).