1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea

C13H16Cl2N2O2 — CID 110706680

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NC1CCCO1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-3-9(11(15)8-10)5-6-16-13(18)17-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7H2,(H2,16,17,18)
InChIKeyFMZPCUUJDIXEEP-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea (PubChem CID 110706680) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
PubChem CID110706680
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)NC1CCCO1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-3-9(11(15)8-10)5-6-16-13(18)17-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7H2,(H2,16,17,18)
InChIKeyFMZPCUUJDIXEEP-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 108887929
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
1-(2-aminoethyl)-3-(oxolan-2-yl)urea
CID 117234856
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea (CID 110706680) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea is O=C(NCCc1ccc(Cl)cc1Cl)NC1CCCO1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea?
The InChIKey is FMZPCUUJDIXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-4-3-9(11(15)8-10)5-6-16-13(18)17-12-2-1-7-19-12/h3-4,8,12H,1-2,5-7H2,(H2,16,17,18).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea has a molecular weight of 303.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea is sourced from PubChem (CID 110706680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).