1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea

C15H19F2N3O2 — CID 6904466

IUPAC1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H19F2N3O2/c16-14(17)22-13-9-5-4-6-11(13)10-18-20-15(21)19-12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2,(H2,19,20,21)/b18-10+
InChIKeyMGUYADTYPSJMHK-VCHYOVAHSA-N
MW311.33 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea

1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea (PubChem CID 6904466) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
PubChem CID6904466
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H19F2N3O2/c16-14(17)22-13-9-5-4-6-11(13)10-18-20-15(21)19-12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2,(H2,19,20,21)/b18-10+
InChIKeyMGUYADTYPSJMHK-VCHYOVAHSA-N
XLogP3.25
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.25
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

N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
1-cyclohexyl-3-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 110536885
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
CID 112538714
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
CID 2383085
1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
CID 2407544
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea (CID 6904466) is 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea is O=C(N/N=C/c1ccccc1OC(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea?
The InChIKey is MGUYADTYPSJMHK-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-14(17)22-13-9-5-4-6-11(13)10-18-20-15(21)19-12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2,(H2,19,20,21)/b18-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea?
1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea has a molecular weight of 311.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 6904466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).