1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

C15H13ClN2O3 — CID 732546

IUPAC1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13ClN2O3/c16-10-2-1-3-11(8-10)17-15(19)18-12-4-5-13-14(9-12)21-7-6-20-13/h1-5,8-9H,6-7H2,(H2,17,18,19)
InChIKeyBJVIWGFZDPBKRT-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.76
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (PubChem CID 732546) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
PubChem CID732546
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H13ClN2O3/c16-10-2-1-3-11(8-10)17-15(19)18-12-4-5-13-14(9-12)21-7-6-20-13/h1-5,8-9H,6-7H2,(H2,17,18,19)
InChIKeyBJVIWGFZDPBKRT-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (CID 732546) is 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The InChIKey is BJVIWGFZDPBKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-2-1-3-11(8-10)17-15(19)18-12-4-5-13-14(9-12)21-7-6-20-13/h1-5,8-9H,6-7H2,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea has a molecular weight of 304.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is sourced from PubChem (CID 732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).