[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea

C10H11F2N3O3 — CID 9017274

IUPAC[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1OC(F)F
InChIInChI=1S/C10H11F2N3O3/c1-17-7-3-2-6(5-14-15-10(13)16)4-8(7)18-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-5-
InChIKeyLMBOTFZRXLTYIX-RZNTYIFUSA-N
MW259.21 g/mol
LogP1.30
Rot. Bonds5

About [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea

[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea (PubChem CID 9017274) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
PubChem CID9017274
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1OC(F)F
InChIInChI=1S/C10H11F2N3O3/c1-17-7-3-2-6(5-14-15-10(13)16)4-8(7)18-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-5-
InChIKeyLMBOTFZRXLTYIX-RZNTYIFUSA-N
XLogP1.30
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
CID 9352689
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
CID 168534079
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
[(4-methoxy-3-prop-2-ynoxyphenyl)methylideneamino]urea
CID 168533701
[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532579
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea (CID 9017274) is [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea is COc1ccc(/C=N\NC(N)=O)cc1OC(F)F.
What is the InChIKey of [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea?
The InChIKey is LMBOTFZRXLTYIX-RZNTYIFUSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-17-7-3-2-6(5-14-15-10(13)16)4-8(7)18-9(11)12/h2-5,9H,1H3,(H3,13,15,16)/b14-5-.
What are the key properties of [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea?
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea has a molecular weight of 259.21 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 9017274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).