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

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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).