1-cyclopentyl-3-(2,4-dichlorophenyl)urea

C12H14Cl2N2O — CID 4152024

IUPAC1-cyclopentyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-8-5-6-11(10(14)7-8)16-12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,15,16,17)
InChIKeyNVZRNXMUDSPFSE-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.06
Rot. Bonds2

About 1-cyclopentyl-3-(2,4-dichlorophenyl)urea

1-cyclopentyl-3-(2,4-dichlorophenyl)urea (PubChem CID 4152024) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-dichlorophenyl)urea
PubChem CID4152024
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-cyclopentyl-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-8-5-6-11(10(14)7-8)16-12(17)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,15,16,17)
InChIKeyNVZRNXMUDSPFSE-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,4-dichlorophenyl)urea (CID 4152024) is 1-cyclopentyl-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)cc1Cl)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,4-dichlorophenyl)urea?
The InChIKey is NVZRNXMUDSPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-8-5-6-11(10(14)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-(2,4-dichlorophenyl)urea?
1-cyclopentyl-3-(2,4-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-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 4152024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).