[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea

C10H11F2N3O2 — CID 9017353

IUPAC[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C10H11F2N3O2/c1-6(14-15-10(13)16)7-4-2-3-5-8(7)17-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-6-
InChIKeyMRRCMGREIDPPGT-NSIKDUERSA-N
MW243.21 g/mol
LogP1.68
Rot. Bonds4

About [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea

[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea (PubChem CID 9017353) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
PubChem CID9017353
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C10H11F2N3O2/c1-6(14-15-10(13)16)7-4-2-3-5-8(7)17-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-6-
InChIKeyMRRCMGREIDPPGT-NSIKDUERSA-N
XLogP1.68
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7429040
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3887231
methyl N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6168777
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
(5R)-N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7430996
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea?
The IUPAC name of [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea (CID 9017353) is [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea?
The canonical SMILES for [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea is C/C(=N/NC(N)=O)c1ccccc1OC(F)F.
What is the InChIKey of [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea?
The InChIKey is MRRCMGREIDPPGT-NSIKDUERSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c1-6(14-15-10(13)16)7-4-2-3-5-8(7)17-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-6-.
What are the key properties of [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea?
[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea has a molecular weight of 243.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea is sourced from PubChem (CID 9017353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).