1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea

C16H14Cl2N2O3 — CID 110372008

IUPAC1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)5-6-19-16(21)20-12-3-4-14-15(8-12)23-9-22-14/h1-4,7-8H,5-6,9H2,(H2,19,20,21)
InChIKeyJOBDCPSLJGMVBH-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.09
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea

1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea (PubChem CID 110372008) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
PubChem CID110372008
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)5-6-19-16(21)20-12-3-4-14-15(8-12)23-9-22-14/h1-4,7-8H,5-6,9H2,(H2,19,20,21)
InChIKeyJOBDCPSLJGMVBH-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]propanediamide
CID 108952650
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dichlorophenyl)urea
CID 113217420
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
4-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 110344658
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-fluorophenyl)urea
CID 6465931

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea (CID 110372008) is 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea is O=C(NCCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea?
The InChIKey is JOBDCPSLJGMVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-2-1-10(13(18)7-11)5-6-19-16(21)20-12-3-4-14-15(8-12)23-9-22-14/h1-4,7-8H,5-6,9H2,(H2,19,20,21).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea has a molecular weight of 353.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea is sourced from PubChem (CID 110372008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).