1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea

C17H14N2O4 — CID 164948255

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
SMILESO=C1Cc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1
InChIInChI=1S/C17H14N2O4/c20-14-6-10-1-2-12(5-11(10)7-14)18-17(21)19-13-3-4-15-16(8-13)23-9-22-15/h1-5,8H,6-7,9H2,(H2,18,19,21)
InChIKeyAEFACGFHWIUDKP-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.73
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea

1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea (PubChem CID 164948255) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
PubChem CID164948255
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
SMILESO=C1Cc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1
InChIInChI=1S/C17H14N2O4/c20-14-6-10-1-2-12(5-11(10)7-14)18-17(21)19-13-3-4-15-16(8-13)23-9-22-15/h1-5,8H,6-7,9H2,(H2,18,19,21)
InChIKeyAEFACGFHWIUDKP-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376109
4-(1,3-benzodioxol-5-ylcarbamoylamino)benzenesulfonic acid
CID 108893705
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052
1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)urea
CID 46860083
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-pentan-3-ylurea
CID 47132811
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea (CID 164948255) is 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea is O=C1Cc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea?
The InChIKey is AEFACGFHWIUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14-6-10-1-2-12(5-11(10)7-14)18-17(21)19-13-3-4-15-16(8-13)23-9-22-15/h1-5,8H,6-7,9H2,(H2,18,19,21).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea has a molecular weight of 310.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea is sourced from PubChem (CID 164948255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).