1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

C19H20FN3O2 — CID 111446739

IUPAC1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCn1ccc2ccc(NC(=O)NCC(O)c3ccccc3F)cc21
InChIInChI=1S/C19H20FN3O2/c1-2-23-10-9-13-7-8-14(11-17(13)23)22-19(25)21-12-18(24)15-5-3-4-6-16(15)20/h3-11,18,24H,2,12H2,1H3,(H2,21,22,25)
InChIKeyHVPPWMOPUCIONO-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.66
Rot. Bonds5

About 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111446739) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID111446739
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCn1ccc2ccc(NC(=O)NCC(O)c3ccccc3F)cc21
InChIInChI=1S/C19H20FN3O2/c1-2-23-10-9-13-7-8-14(11-17(13)23)22-19(25)21-12-18(24)15-5-3-4-6-16(15)20/h3-11,18,24H,2,12H2,1H3,(H2,21,22,25)
InChIKeyHVPPWMOPUCIONO-UHFFFAOYSA-N
XLogP3.66
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111474953
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56528086
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
1-(1-ethylindol-6-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111474945
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 111446739) is 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is CCn1ccc2ccc(NC(=O)NCC(O)c3ccccc3F)cc21.
What is the InChIKey of 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is HVPPWMOPUCIONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-23-10-9-13-7-8-14(11-17(13)23)22-19(25)21-12-18(24)15-5-3-4-6-16(15)20/h3-11,18,24H,2,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 341.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111446739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).