1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

C26H24F3N3O2 — CID 11583568

IUPAC1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C26H24F3N3O2/c27-26(28,29)34-19-13-11-18(12-14-19)30-24(33)31-21-8-2-4-10-23(21)32-17-25(15-5-6-16-25)20-7-1-3-9-22(20)32/h1-4,7-14H,5-6,15-17H2,(H2,30,31,33)
InChIKeyVLVYGPOBUIHHAE-UHFFFAOYSA-N
MW467.49 g/mol
LogP7.19
Rot. Bonds4

About 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11583568) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11583568
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C26H24F3N3O2/c27-26(28,29)34-19-13-11-18(12-14-19)30-24(33)31-21-8-2-4-10-23(21)32-17-25(15-5-6-16-25)20-7-1-3-9-22(20)32/h1-4,7-14H,5-6,15-17H2,(H2,30,31,33)
InChIKeyVLVYGPOBUIHHAE-UHFFFAOYSA-N
XLogP7.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 73052662
1-[2-[1'-(2,2-dimethylpropyl)-4-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 73052824
N-(4-methoxyphenyl)-1-indolinecarboxamide
CID 894713
1-[2-(4,4-Dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11496216
1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11517789
1-[2-[1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11533956
benzyl 1-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 11549000
1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11562714
1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11575502
1-(2-spiro[2H-indole-3,1'-cyclobutane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11604868
methyl 1-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 11606309
1-[2-(1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11620229

Frequently Asked Questions

What is the IUPAC name of 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 11583568) is 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is VLVYGPOBUIHHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c27-26(28,29)34-19-13-11-18(12-14-19)30-24(33)31-21-8-2-4-10-23(21)32-17-25(15-5-6-16-25)20-7-1-3-9-22(20)32/h1-4,7-14H,5-6,15-17H2,(H2,30,31,33).
What are the key properties of 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 467.49 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-spiro[2H-indole-3,1'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11583568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).