1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea

C18H24F2N2O2 — CID 86793358

IUPAC1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NC1CCOC(C2CC2)C1)c1ccc(F)cc1F
InChIInChI=1S/C18H24F2N2O2/c1-11(15-5-4-13(19)8-16(15)20)10-21-18(23)22-14-6-7-24-17(9-14)12-2-3-12/h4-5,8,11-12,14,17H,2-3,6-7,9-10H2,1H3,(H2,21,22,23)
InChIKeyABDBXKFVEAJMFS-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea

1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea (PubChem CID 86793358) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
PubChem CID86793358
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
SMILESCC(CNC(=O)NC1CCOC(C2CC2)C1)c1ccc(F)cc1F
InChIInChI=1S/C18H24F2N2O2/c1-11(15-5-4-13(19)8-16(15)20)10-21-18(23)22-14-6-7-24-17(9-14)12-2-3-12/h4-5,8,11-12,14,17H,2-3,6-7,9-10H2,1H3,(H2,21,22,23)
InChIKeyABDBXKFVEAJMFS-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
CID 75507899
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 132971826
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111
N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 100641141
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-(2,5-difluorophenyl)-3-[(2S,4S)-2-pentan-3-yloxan-4-yl]urea
CID 97260483
1-(2,5-difluorophenyl)-3-[(2S,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260481
1-(2,5-difluorophenyl)-3-[(2R,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260482
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea (CID 86793358) is 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea is CC(CNC(=O)NC1CCOC(C2CC2)C1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
The InChIKey is ABDBXKFVEAJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-11(15-5-4-13(19)8-16(15)20)10-21-18(23)22-14-6-7-24-17(9-14)12-2-3-12/h4-5,8,11-12,14,17H,2-3,6-7,9-10H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea?
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea has a molecular weight of 338.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea is sourced from PubChem (CID 86793358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).