1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

C19H20FN3O2 — CID 166188124

IUPAC1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1F
InChIInChI=1S/C19H20FN3O2/c1-2-25-18-8-7-14(11-16(18)20)23-19(24)21-10-9-13-12-22-17-6-4-3-5-15(13)17/h3-8,11-12,22H,2,9-10H2,1H3,(H2,21,23,24)
InChIKeyAWMGDLHNZPOOHT-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 166188124) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID166188124
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1F
InChIInChI=1S/C19H20FN3O2/c1-2-25-18-8-7-14(11-16(18)20)23-19(24)21-10-9-13-12-22-17-6-4-3-5-15(13)17/h3-8,11-12,22H,2,9-10H2,1H3,(H2,21,23,24)
InChIKeyAWMGDLHNZPOOHT-UHFFFAOYSA-N
XLogP4.07
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 166188124) is 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is CCOc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is AWMGDLHNZPOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-25-18-8-7-14(11-16(18)20)23-19(24)21-10-9-13-12-22-17-6-4-3-5-15(13)17/h3-8,11-12,22H,2,9-10H2,1H3,(H2,21,23,24).
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 341.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 166188124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).