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

C14H18FN3O — CID 6903771

IUPAC1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C14H18FN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H2,17,18,19)/b16-10+
InChIKeyYNYUIXAXYKCALF-MHWRWJLKSA-N
MW263.32 g/mol
LogP2.79
Rot. Bonds3

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

1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea (PubChem CID 6903771) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea
PubChem CID6903771
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C14H18FN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H2,17,18,19)/b16-10+
InChIKeyYNYUIXAXYKCALF-MHWRWJLKSA-N
XLogP2.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea (CID 6903771) is 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea is O=C(N/N=C/c1ccccc1F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea?
The InChIKey is YNYUIXAXYKCALF-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H2,17,18,19)/b16-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea?
1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea has a molecular weight of 263.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(2-fluorophenyl)methylideneamino]urea is sourced from PubChem (CID 6903771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).