2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H14ClFN4O — CID 168592699

IUPAC2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFN4O/c16-14-7-12(17)4-3-11(14)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyYYZNIUTWQWJSIC-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.67
Rot. Bonds5

About 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 168592699) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID168592699
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFN4O/c16-14-7-12(17)4-3-11(14)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyYYZNIUTWQWJSIC-UHFFFAOYSA-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

[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535210
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]guanidine
CID 168590701
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
N-[(Z)-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propylthiophene-3-carboxamide
CID 27526851
2-[[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593056
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 168592699) is 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is YYZNIUTWQWJSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-14-7-12(17)4-3-11(14)9-22-13-5-1-10(2-6-13)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21).
What are the key properties of 2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]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-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).