1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea

C16H14F2N2O4 — CID 71895896

IUPAC1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H14F2N2O4/c17-16(18)23-13-6-3-10(8-14(13)24-16)19-15(21)20(11-4-5-11)9-12-2-1-7-22-12/h1-3,6-8,11H,4-5,9H2,(H,19,21)
InChIKeyOLRNWHQKQBEQRT-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.80
Rot. Bonds4

About 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea

1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea (PubChem CID 71895896) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
PubChem CID71895896
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H14F2N2O4/c17-16(18)23-13-6-3-10(8-14(13)24-16)19-15(21)20(11-4-5-11)9-12-2-1-7-22-12/h1-3,6-8,11H,4-5,9H2,(H,19,21)
InChIKeyOLRNWHQKQBEQRT-UHFFFAOYSA-N
XLogP3.80
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea (CID 71895896) is 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea is O=C(Nc1ccc2c(c1)OC(F)(F)O2)N(Cc1ccco1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea?
The InChIKey is OLRNWHQKQBEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c17-16(18)23-13-6-3-10(8-14(13)24-16)19-15(21)20(11-4-5-11)9-12-2-1-7-22-12/h1-3,6-8,11H,4-5,9H2,(H,19,21).
What are the key properties of 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea?
1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea has a molecular weight of 336.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 71895896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).