2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine

C15H14ClFN4O — CID 16728633

IUPAC2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(F)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKeyAYUTVIVIEVCEQQ-DNTJNYDQSA-N
MW320.76 g/mol
LogP2.67
Rot. Bonds5

About 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine

2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine (PubChem CID 16728633) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
PubChem CID16728633
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc(F)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+
InChIKeyAYUTVIVIEVCEQQ-DNTJNYDQSA-N
XLogP2.67
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728636
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine;dihydroxy(oxo)azanium
CID 126960442
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-[[4-(bromomethyl)-2-fluorophenyl]methylideneamino]guanidine
CID 168591308

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine (CID 16728633) is 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1cccc(F)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The InChIKey is AYUTVIVIEVCEQQ-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-12-6-4-10(5-7-12)9-22-14-11(2-1-3-13(14)17)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)/b20-8+.
What are the key properties of 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine has a molecular weight of 320.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine is sourced from PubChem (CID 16728633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).