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

C19H19Cl2N3O — CID 108989626

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19Cl2N3O/c20-15-6-5-13(17(21)11-15)7-9-22-19(25)23-10-8-14-12-24-18-4-2-1-3-16(14)18/h1-6,11-12,24H,7-10H2,(H2,22,23,25)
InChIKeyOLOHYYARPGASAC-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.56
Rot. Bonds6

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

1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 108989626) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID108989626
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19Cl2N3O/c20-15-6-5-13(17(21)11-15)7-9-22-19(25)23-10-8-14-12-24-18-4-2-1-3-16(14)18/h1-6,11-12,24H,7-10H2,(H2,22,23,25)
InChIKeyOLOHYYARPGASAC-UHFFFAOYSA-N
XLogP4.56
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 108989626) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is OLOHYYARPGASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-15-6-5-13(17(21)11-15)7-9-22-19(25)23-10-8-14-12-24-18-4-2-1-3-16(14)18/h1-6,11-12,24H,7-10H2,(H2,22,23,25).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 376.29 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 108989626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).