2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H13ClF2N4O — CID 168590729

IUPAC2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H13ClF2N4O/c16-11-1-4-14(9(5-11)7-21-22-15(19)20)23-8-10-6-12(17)2-3-13(10)18/h1-7H,8H2,(H4,19,20,22)
InChIKeyMMCIIVQBJGYJAY-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.80
Rot. Bonds5

About 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 168590729) has the molecular formula C15H13ClF2N4O and a molecular weight of 338.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID168590729
Molecular FormulaC15H13ClF2N4O
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H13ClF2N4O/c16-11-1-4-14(9(5-11)7-21-22-15(19)20)23-8-10-6-12(17)2-3-13(10)18/h1-7H,8H2,(H4,19,20,22)
InChIKeyMMCIIVQBJGYJAY-UHFFFAOYSA-N
XLogP2.80
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.80
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-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
CID 168592781
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
2-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]guanidine
CID 168592723
2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 168590701
[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535185
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728636
2-[2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620384

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 168590729) is 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cc(Cl)ccc1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is MMCIIVQBJGYJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O/c16-11-1-4-14(9(5-11)7-21-22-15(19)20)23-8-10-6-12(17)2-3-13(10)18/h1-7H,8H2,(H4,19,20,22).
What are the key properties of 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine has a molecular weight of 338.75 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).