1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea

C13H16F2N2O3 — CID 86776784

IUPAC1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1cccc(OC(F)F)c1)NC1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-12(15)20-11-3-1-2-10(8-11)17-13(18)16-9-4-6-19-7-5-9/h1-3,8-9,12H,4-7H2,(H2,16,17,18)
InChIKeyCUBPIQGZAKYAJE-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea

1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea (PubChem CID 86776784) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
PubChem CID86776784
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1cccc(OC(F)F)c1)NC1CCOCC1
InChIInChI=1S/C13H16F2N2O3/c14-12(15)20-11-3-1-2-10(8-11)17-13(18)16-9-4-6-19-7-5-9/h1-3,8-9,12H,4-7H2,(H2,16,17,18)
InChIKeyCUBPIQGZAKYAJE-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 56823494
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107
N-[3-(difluoromethoxy)phenyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567994
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-(cyclopentylamino)-N-[3-(difluoromethoxy)phenyl]acetamide
CID 60849036
1-(1-adamantyl)-3-[3-(difluoromethoxy)phenyl]urea
CID 70694281
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
2-fluoro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 107796002
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea (CID 86776784) is 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea is O=C(Nc1cccc(OC(F)F)c1)NC1CCOCC1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea?
The InChIKey is CUBPIQGZAKYAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-12(15)20-11-3-1-2-10(8-11)17-13(18)16-9-4-6-19-7-5-9/h1-3,8-9,12H,4-7H2,(H2,16,17,18).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea?
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea has a molecular weight of 286.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 86776784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).