1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea

C16H19F3N2O3 — CID 75507899

IUPAC1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
SMILESO=C(Nc1cc(F)ccc1OC(F)F)NC1CCOC(C2CC2)C1
InChIInChI=1S/C16H19F3N2O3/c17-10-3-4-13(24-15(18)19)12(7-10)21-16(22)20-11-5-6-23-14(8-11)9-1-2-9/h3-4,7,9,11,14-15H,1-2,5-6,8H2,(H2,20,21,22)
InChIKeyGZLKVCBVWNAYGX-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.51
Rot. Bonds5

About 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea

1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea (PubChem CID 75507899) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
PubChem CID75507899
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
SMILESO=C(Nc1cc(F)ccc1OC(F)F)NC1CCOC(C2CC2)C1
InChIInChI=1S/C16H19F3N2O3/c17-10-3-4-13(24-15(18)19)12(7-10)21-16(22)20-11-5-6-23-14(8-11)9-1-2-9/h3-4,7,9,11,14-15H,1-2,5-6,8H2,(H2,20,21,22)
InChIKeyGZLKVCBVWNAYGX-UHFFFAOYSA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533935
1-(2,5-difluorophenyl)-3-[(2R,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260482
1-(2,5-difluorophenyl)-3-[(2S,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260481
1-(2,5-difluorophenyl)-3-[(2S,4S)-2-pentan-3-yloxan-4-yl]urea
CID 97260483
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139276
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139278
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-3-[(2S,4S)-2-methyloxan-4-yl]urea
CID 129471381
1-[2-(difluoromethoxy)phenyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 112824538
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea (CID 75507899) is 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea is O=C(Nc1cc(F)ccc1OC(F)F)NC1CCOC(C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea?
The InChIKey is GZLKVCBVWNAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-10-3-4-13(24-15(18)19)12(7-10)21-16(22)20-11-5-6-23-14(8-11)9-1-2-9/h3-4,7,9,11,14-15H,1-2,5-6,8H2,(H2,20,21,22).
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea?
1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea has a molecular weight of 344.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea is sourced from PubChem (CID 75507899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).