1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea

C17H22FN3O2 — CID 111423653

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCC(O)CC1
InChIInChI=1S/C17H22FN3O2/c18-12-1-6-16-15(9-12)11(10-20-16)7-8-19-17(23)21-13-2-4-14(22)5-3-13/h1,6,9-10,13-14,20,22H,2-5,7-8H2,(H2,19,21,23)
InChIKeySRXKCMYAQAZZLT-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 111423653) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID111423653
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCC(O)CC1
InChIInChI=1S/C17H22FN3O2/c18-12-1-6-16-15(9-12)11(10-20-16)7-8-19-17(23)21-13-2-4-14(22)5-3-13/h1,6,9-10,13-14,20,22H,2-5,7-8H2,(H2,19,21,23)
InChIKeySRXKCMYAQAZZLT-UHFFFAOYSA-N
XLogP2.45
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-cyclopropyl-4-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]butanamide;hydroiodide
CID 111973267
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea (CID 111423653) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea is O=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCC(O)CC1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is SRXKCMYAQAZZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-12-1-6-16-15(9-12)11(10-20-16)7-8-19-17(23)21-13-2-4-14(22)5-3-13/h1,6,9-10,13-14,20,22H,2-5,7-8H2,(H2,19,21,23).
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 319.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 111423653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).