2-(4,6-dichloro-1H-indol-3-yl)ethylurea

C11H11Cl2N3O — CID 66749376

IUPAC2-(4,6-dichloro-1H-indol-3-yl)ethylurea
SMILESNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C11H11Cl2N3O/c12-7-3-8(13)10-6(1-2-15-11(14)17)5-16-9(10)4-7/h3-5,16H,1-2H2,(H3,14,15,17)
InChIKeyJLZWGHPLKKRKNK-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.69
Rot. Bonds3

About 2-(4,6-dichloro-1H-indol-3-yl)ethylurea

2-(4,6-dichloro-1H-indol-3-yl)ethylurea (PubChem CID 66749376) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(4,6-dichloro-1H-indol-3-yl)ethylurea.

Molecular Properties

Compound Name2-(4,6-dichloro-1H-indol-3-yl)ethylurea
PubChem CID66749376
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-(4,6-dichloro-1H-indol-3-yl)ethylurea
SMILESNC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C11H11Cl2N3O/c12-7-3-8(13)10-6(1-2-15-11(14)17)5-16-9(10)4-7/h3-5,16H,1-2H2,(H3,14,15,17)
InChIKeyJLZWGHPLKKRKNK-UHFFFAOYSA-N
XLogP2.69
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

methane;methyl N-[2-(4,6-dichloro-1H-indol-3-yl)ethyl]carbamodithioate
CID 159144834
2-(4,6-dichloro-1H-indol-3-yl)ethanol
CID 21099158
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2-(3-chlorophenyl)ethylurea
CID 127513466
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
(2S)-2-amino-3-(6-chloro-4-hydroxy-1H-indol-3-yl)propanoic acid
CID 162744818
2-(5,7-dichloro-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174765
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
2-(4-bromophenyl)-1-(4,6-dichloro-1H-indol-3-yl)ethanone
CID 103427819
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(2S)-2-amino-3-(6-chloro-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473919

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1H-indol-3-yl)ethylurea?
The IUPAC name of 2-(4,6-dichloro-1H-indol-3-yl)ethylurea (CID 66749376) is 2-(4,6-dichloro-1H-indol-3-yl)ethylurea.
What is the SMILES notation for 2-(4,6-dichloro-1H-indol-3-yl)ethylurea?
The canonical SMILES for 2-(4,6-dichloro-1H-indol-3-yl)ethylurea is NC(=O)NCCc1c[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-(4,6-dichloro-1H-indol-3-yl)ethylurea?
The InChIKey is JLZWGHPLKKRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-7-3-8(13)10-6(1-2-15-11(14)17)5-16-9(10)4-7/h3-5,16H,1-2H2,(H3,14,15,17).
What are the key properties of 2-(4,6-dichloro-1H-indol-3-yl)ethylurea?
2-(4,6-dichloro-1H-indol-3-yl)ethylurea has a molecular weight of 272.13 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1H-indol-3-yl)ethylurea is sourced from PubChem (CID 66749376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).