1-cyclopentyl-3-(2,5-dichlorophenyl)urea

C12H14Cl2N2O — CID 47192576

IUPAC1-cyclopentyl-3-(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-8-5-6-10(14)11(7-8)16-12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,15,16,17)
InChIKeyADZRYKTZSJEFAW-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.06
Rot. Bonds2

About 1-cyclopentyl-3-(2,5-dichlorophenyl)urea

1-cyclopentyl-3-(2,5-dichlorophenyl)urea (PubChem CID 47192576) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dichlorophenyl)urea
PubChem CID47192576
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-cyclopentyl-3-(2,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-8-5-6-10(14)11(7-8)16-12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,15,16,17)
InChIKeyADZRYKTZSJEFAW-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
6-N-cyclopentyl-2-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109095085
1-(2,5-dichlorophenyl)-3-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]urea
CID 94799051
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,5-dichlorophenyl)urea (CID 47192576) is 1-cyclopentyl-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dichlorophenyl)urea?
The InChIKey is ADZRYKTZSJEFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-8-5-6-10(14)11(7-8)16-12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-(2,5-dichlorophenyl)urea?
1-cyclopentyl-3-(2,5-dichlorophenyl)urea has a molecular weight of 273.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 47192576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).