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

C22H23F3N2O2 — CID 167467992

IUPACmethylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
SMILESCC1CCC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H13F3N2O2.C5H10/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;1-5-3-2-4-5/h1-8,10,21H,9H2,(H,22,23);5H,2-4H2,1H3
InChIKeyMQEMGVSMKACBBL-UHFFFAOYSA-N
MW404.43 g/mol
LogP6.14
Rot. Bonds5

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

methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide (PubChem CID 167467992) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide.

Molecular Properties

Compound Namemethylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
PubChem CID167467992
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Namemethylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
SMILESCC1CCC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C17H13F3N2O2.C5H10/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;1-5-3-2-4-5/h1-8,10,21H,9H2,(H,22,23);5H,2-4H2,1H3
InChIKeyMQEMGVSMKACBBL-UHFFFAOYSA-N
XLogP6.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467744
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
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
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
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

Frequently Asked Questions

What is the IUPAC name of methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The IUPAC name of methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide (CID 167467992) is methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide.
What is the SMILES notation for methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The canonical SMILES for methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide is CC1CCC1.O=CNc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
The InChIKey is MQEMGVSMKACBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2.C5H10/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;1-5-3-2-4-5/h1-8,10,21H,9H2,(H,22,23);5H,2-4H2,1H3.
What are the key properties of methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide?
methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide has a molecular weight of 404.43 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide is sourced from PubChem (CID 167467992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).