1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea

C13H16ClN3O — CID 667366

IUPAC1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN3O/c1-2-15-13(18)16-6-5-9-8-17-12-4-3-10(14)7-11(9)12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,15,16,18)
InChIKeyFCXALUBHQLDVNP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea (PubChem CID 667366) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea
PubChem CID667366
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN3O/c1-2-15-13(18)16-6-5-9-8-17-12-4-3-10(14)7-11(9)12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,15,16,18)
InChIKeyFCXALUBHQLDVNP-UHFFFAOYSA-N
XLogP2.68
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea?
The IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea (CID 667366) is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea is CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea?
The InChIKey is FCXALUBHQLDVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-15-13(18)16-6-5-9-8-17-12-4-3-10(14)7-11(9)12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea?
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea has a molecular weight of 265.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea is sourced from PubChem (CID 667366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).