[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea

C15H14FN3O2 — CID 6872564

IUPAC[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H14FN3O2/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+
InChIKeyQFNZWGPELGOICQ-GIJQJNRQSA-N
MW287.29 g/mol
LogP2.41
Rot. Bonds5

About [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea

[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea (PubChem CID 6872564) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
PubChem CID6872564
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C15H14FN3O2/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+
InChIKeyQFNZWGPELGOICQ-GIJQJNRQSA-N
XLogP2.41
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.41
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

[(E)-[4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110338795
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5349866
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
(2R)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126201806
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 8930542
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657831
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
[(Z)-[4-[[2-[[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methylideneamino]thiourea
CID 139235234
3-ethoxy-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126326419

Frequently Asked Questions

What is the IUPAC name of [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The IUPAC name of [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea (CID 6872564) is [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea is NC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
The InChIKey is QFNZWGPELGOICQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+.
What are the key properties of [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea?
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea has a molecular weight of 287.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 6872564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).