1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea

C18H16F2N2O3 — CID 113216084

IUPAC1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H16F2N2O3/c19-13-3-2-12(10-14(13)20)21-17(23)22-18(5-6-18)11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10H,5-8H2,(H2,21,22,23)
InChIKeyANRVXRFBIJIOAV-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.55
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea

1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea (PubChem CID 113216084) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
PubChem CID113216084
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
SMILESO=C(Nc1ccc(F)c(F)c1)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H16F2N2O3/c19-13-3-2-12(10-14(13)20)21-17(23)22-18(5-6-18)11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10H,5-8H2,(H2,21,22,23)
InChIKeyANRVXRFBIJIOAV-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea with MolForge

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 113216057
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215721
N-(3,4-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoylamino)acetamide
CID 55482496
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(2-methylpyrimidin-4-yl)urea
CID 146138921
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea (CID 113216084) is 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea is O=C(Nc1ccc(F)c(F)c1)NC1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea?
The InChIKey is ANRVXRFBIJIOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-13-3-2-12(10-14(13)20)21-17(23)22-18(5-6-18)11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10H,5-8H2,(H2,21,22,23).
What are the key properties of 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea?
1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea has a molecular weight of 346.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea is sourced from PubChem (CID 113216084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).