1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea

C10H9Cl3N2O — CID 116654082

IUPAC1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C10H9Cl3N2O/c11-5-3-7(12)9(8(13)4-5)15-10(16)14-6-1-2-6/h3-4,6H,1-2H2,(H2,14,15,16)
InChIKeyKPNPENDIFKNAJX-UHFFFAOYSA-N
MW279.55 g/mol
LogP3.93
Rot. Bonds2

About 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea

1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea (PubChem CID 116654082) has the molecular formula C10H9Cl3N2O and a molecular weight of 279.55 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
PubChem CID116654082
Molecular FormulaC10H9Cl3N2O
Molecular Weight279.55 g/mol
Exact Mass277.98
IUPAC Name1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C10H9Cl3N2O/c11-5-3-7(12)9(8(13)4-5)15-10(16)14-6-1-2-6/h3-4,6H,1-2H2,(H2,14,15,16)
InChIKeyKPNPENDIFKNAJX-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
3,5-dichloro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548806
3,5-dichloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 82811187
2-(cyclopropylamino)-N-(2,4,6-trichlorophenyl)acetamide
CID 60647047
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 171916810
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056
1-(1,2,2-trichloroethenyl)-3-(2,4,6-trichlorophenyl)urea
CID 2776833
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea (CID 116654082) is 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea is O=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea?
The InChIKey is KPNPENDIFKNAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O/c11-5-3-7(12)9(8(13)4-5)15-10(16)14-6-1-2-6/h3-4,6H,1-2H2,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea?
1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea has a molecular weight of 279.55 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea is sourced from PubChem (CID 116654082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).