1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea

C15H14N2O3 — CID 69476954

IUPAC1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(c1)COCO2
InChIInChI=1S/C15H14N2O3/c18-15(16-12-4-2-1-3-5-12)17-13-6-7-14-11(8-13)9-19-10-20-14/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyFNOVSIWUJLDYFL-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.20
Rot. Bonds2

About 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea

1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea (PubChem CID 69476954) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea
PubChem CID69476954
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(c1)COCO2
InChIInChI=1S/C15H14N2O3/c18-15(16-12-4-2-1-3-5-12)17-13-6-7-14-11(8-13)9-19-10-20-14/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyFNOVSIWUJLDYFL-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4H-1,3-benzodioxin-6-ylurea
CID 91180713
5-(4H-1,3-benzodioxin-6-ylamino)-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
CID 2800106
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
CID 164948255
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenoxyphenyl)urea
CID 110372022
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)urea
CID 46860083

Frequently Asked Questions

What is the IUPAC name of 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea?
The IUPAC name of 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea (CID 69476954) is 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea?
The canonical SMILES for 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc2c(c1)COCO2.
What is the InChIKey of 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea?
The InChIKey is FNOVSIWUJLDYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(16-12-4-2-1-3-5-12)17-13-6-7-14-11(8-13)9-19-10-20-14/h1-8H,9-10H2,(H2,16,17,18).
What are the key properties of 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea?
1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea has a molecular weight of 270.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-1,3-benzodioxin-6-yl)-3-phenylurea is sourced from PubChem (CID 69476954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).