1-(2,6-dichloroanilino)-3-ethylurea

C9H11Cl2N3O — CID 2743134

IUPAC1-(2,6-dichloroanilino)-3-ethylurea
SMILESCCNC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3O/c1-2-12-9(15)14-13-8-6(10)4-3-5-7(8)11/h3-5,13H,2H2,1H3,(H2,12,14,15)
InChIKeyLODRGIZVDVUZRJ-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,6-dichloroanilino)-3-ethylurea

1-(2,6-dichloroanilino)-3-ethylurea (PubChem CID 2743134) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,6-dichloroanilino)-3-ethylurea.

Molecular Properties

Compound Name1-(2,6-dichloroanilino)-3-ethylurea
PubChem CID2743134
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name1-(2,6-dichloroanilino)-3-ethylurea
SMILESCCNC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3O/c1-2-12-9(15)14-13-8-6(10)4-3-5-7(8)11/h3-5,13H,2H2,1H3,(H2,12,14,15)
InChIKeyLODRGIZVDVUZRJ-UHFFFAOYSA-N
XLogP2.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-3-(2,4,6-trichloroanilino)thiourea
CID 2350012
1-(2-Chloroethyl)-3-(2,4,6-trichloroanilino)urea
CID 2327323
1-(2,6-Dichloroanilino)-3-propan-2-ylurea
CID 2743135
1-(2,6-Dichloro-4-fluoroanilino)-3-(5-hydroxypentan-2-yl)urea
CID 109924664
1-(4-Chloroanilino)-3-ethylurea
CID 129909887
1-(2,6-Dichlorophenyl)-3-(2,2,2-trifluoroethylamino)urea
CID 134106255
1-Propan-2-yl-3-(2,4,6-trichloroanilino)thiourea
CID 2448697
4-(2,4-Dichlorophenyl)-1,1-dimethylsemicarbazide
CID 3548552
N-(2,6-dichlorophenyl)-2,2-dimethylhydrazinecarboxamide
CID 4459299
3-(2-Chlorophenyl)-1-methyl-1-(methylamino)urea
CID 13456721
2-(2-Chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one
CID 14276316
(2,6-Dichloroanilino)urea
CID 19692654

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloroanilino)-3-ethylurea?
The IUPAC name of 1-(2,6-dichloroanilino)-3-ethylurea (CID 2743134) is 1-(2,6-dichloroanilino)-3-ethylurea.
What is the SMILES notation for 1-(2,6-dichloroanilino)-3-ethylurea?
The canonical SMILES for 1-(2,6-dichloroanilino)-3-ethylurea is CCNC(=O)NNc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichloroanilino)-3-ethylurea?
The InChIKey is LODRGIZVDVUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-2-12-9(15)14-13-8-6(10)4-3-5-7(8)11/h3-5,13H,2H2,1H3,(H2,12,14,15).
What are the key properties of 1-(2,6-dichloroanilino)-3-ethylurea?
1-(2,6-dichloroanilino)-3-ethylurea has a molecular weight of 248.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloroanilino)-3-ethylurea is sourced from PubChem (CID 2743134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).