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

C17H16ClN3O — CID 2804574

IUPAC1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c18-13-5-7-14(8-6-13)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,19,21,22)
InChIKeyODENSRVZLGFMCT-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.19
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 2804574) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID2804574
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O/c18-13-5-7-14(8-6-13)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,19,21,22)
InChIKeyODENSRVZLGFMCT-UHFFFAOYSA-N
XLogP4.19
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea 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-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 2804574) is 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is ODENSRVZLGFMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-13-5-7-14(8-6-13)21-17(22)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20H,9-10H2,(H2,19,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 313.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 2804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).