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

C14H10F2N2O3 — CID 6468432

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

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

1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea (PubChem CID 6468432) 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-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
PubChem CID6468432
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H10F2N2O3/c15-10-3-1-8(5-11(10)16)17-14(19)18-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2,(H2,17,18,19)
InChIKeySCUGSQMYKQENBJ-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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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
1-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-fluorophenyl)urea
CID 6465931
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 55868228
1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)urea
CID 46860083
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
CID 18588725
2-(1,3-benzodioxol-5-ylamino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270459
3-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)propanamide
CID 109022867
N-(1,3-benzodioxol-5-yl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270447
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea (CID 6468432) is 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea is O=C(Nc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea?
The InChIKey is SCUGSQMYKQENBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-10-3-1-8(5-11(10)16)17-14(19)18-9-2-4-12-13(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-(3,4-difluorophenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(3,4-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-(3,4-difluorophenyl)urea is sourced from PubChem (CID 6468432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).