1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea

C14H10F2N2O3 — CID 2554270

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-8-1-3-11(10(16)5-8)18-14(19)17-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2,(H2,17,18,19)
InChIKeyFESPQLXNCOMFDT-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.34
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 2554270) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
PubChem CID2554270
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c15-8-1-3-11(10(16)5-8)18-14(19)17-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2,(H2,17,18,19)
InChIKeyFESPQLXNCOMFDT-UHFFFAOYSA-N
XLogP3.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea (CID 2554270) is 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is FESPQLXNCOMFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-8-1-3-11(10(16)5-8)18-14(19)17-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 292.24 g/mol, XLogP of 3.34, 2 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 2554270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).