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

C24H20F3N3O2 — CID 11517789

IUPAC1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CC2)c2ccccc21
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)32-17-11-9-16(10-12-17)28-22(31)29-19-6-2-4-8-21(19)30-15-23(13-14-23)18-5-1-3-7-20(18)30/h1-12H,13-15H2,(H2,28,29,31)
InChIKeyDINOSKMIZHXYDP-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.41
Rot. Bonds4

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

1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11517789) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11517789
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CC2)c2ccccc21
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)32-17-11-9-16(10-12-17)28-22(31)29-19-6-2-4-8-21(19)30-15-23(13-14-23)18-5-1-3-7-20(18)30/h1-12H,13-15H2,(H2,28,29,31)
InChIKeyDINOSKMIZHXYDP-UHFFFAOYSA-N
XLogP6.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 56.41
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-[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'-cyclopentane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11583568
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'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 11517789) is 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CC2)c2ccccc21.
What is the InChIKey of 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is DINOSKMIZHXYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)32-17-11-9-16(10-12-17)28-22(31)29-19-6-2-4-8-21(19)30-15-23(13-14-23)18-5-1-3-7-20(18)30/h1-12H,13-15H2,(H2,28,29,31).
What are the key properties of 1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(2-spiro[2H-indole-3,1'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 439.44 g/mol, XLogP of 6.41, 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'-cyclopropane]-1-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11517789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).