1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

C18H22F3N3O — CID 55590613

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)13-4-3-5-14(10-13)24-17(25)22-9-8-12-11-23-16-7-2-1-6-15(12)16/h1-2,6-7,11,13-14,23H,3-5,8-10H2,(H2,22,24,25)
InChIKeyMALUMWSAASEVSE-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.13
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 55590613) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID55590613
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F3N3O/c19-18(20,21)13-4-3-5-14(10-13)24-17(25)22-9-8-12-11-23-16-7-2-1-6-15(12)16/h1-2,6-7,11,13-14,23H,3-5,8-10H2,(H2,22,24,25)
InChIKeyMALUMWSAASEVSE-UHFFFAOYSA-N
XLogP4.13
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 111984168
4-[2-(1H-indol-3-yl)acetyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55922858
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 129367988
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 55590613) is 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is O=C(NCCc1c[nH]c2ccccc12)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is MALUMWSAASEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c19-18(20,21)13-4-3-5-14(10-13)24-17(25)22-9-8-12-11-23-16-7-2-1-6-15(12)16/h1-2,6-7,11,13-14,23H,3-5,8-10H2,(H2,22,24,25).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 353.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 55590613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).