2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine

C15H13F3N4O — CID 168590701

IUPAC2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H13F3N4O/c16-11-3-2-10(12(17)6-11)8-23-14-4-1-9(5-13(14)18)7-21-22-15(19)20/h1-7H,8H2,(H4,19,20,22)
InChIKeyLMRVSZZNEULHSR-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.29
Rot. Bonds5

About 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine

2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine (PubChem CID 168590701) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
PubChem CID168590701
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H13F3N4O/c16-11-3-2-10(12(17)6-11)8-23-14-4-1-9(5-13(14)18)7-21-22-15(19)20/h1-7H,8H2,(H4,19,20,22)
InChIKeyLMRVSZZNEULHSR-UHFFFAOYSA-N
XLogP2.29
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.29
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-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[[4-(bromomethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168591296
2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168592699
2-[[4-(cyclopentyloxymethyl)-3-fluorophenyl]methylideneamino]guanidine
CID 168590831
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 97312635
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110339029
benzyl N'-[[4-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methylideneamino]carbamimidothioate
CID 168611608
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine (CID 168590701) is 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(OCc2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
The InChIKey is LMRVSZZNEULHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-11-3-2-10(12(17)6-11)8-23-14-4-1-9(5-13(14)18)7-21-22-15(19)20/h1-7H,8H2,(H4,19,20,22).
What are the key properties of 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine?
2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine has a molecular weight of 322.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).