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

C12H13Cl3N2O — CID 67521970

IUPAC1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C12H13Cl3N2O/c13-7-5-9(14)11(10(15)6-7)17-12(18)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H2,16,17,18)
InChIKeyRWWQINQQBWPJMV-UHFFFAOYSA-N
MW307.61 g/mol
LogP4.71
Rot. Bonds2

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

1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea (PubChem CID 67521970) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
PubChem CID67521970
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC Name1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C12H13Cl3N2O/c13-7-5-9(14)11(10(15)6-7)17-12(18)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H2,16,17,18)
InChIKeyRWWQINQQBWPJMV-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
CID 116654082
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
3,5-dichloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 82811187
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 171916810
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
3,5-dichloro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548806
cis-(1S,2R)-2-[(2,4,6-trichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 42300958

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea (CID 67521970) is 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea is O=C(Nc1c(Cl)cc(Cl)cc1Cl)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea?
The InChIKey is RWWQINQQBWPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c13-7-5-9(14)11(10(15)6-7)17-12(18)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea?
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea has a molecular weight of 307.61 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea is sourced from PubChem (CID 67521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).