2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

C15H14ClFN4O — CID 168590804

IUPAC2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN4O/c16-13-5-4-11(7-14(13)17)9-22-12-3-1-2-10(6-12)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyDOLBJINGSRFETM-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.67
Rot. Bonds5

About 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine

2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (PubChem CID 168590804) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
PubChem CID168590804
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C15H14ClFN4O/c16-13-5-4-11(7-14(13)17)9-22-12-3-1-2-10(6-12)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21)
InChIKeyDOLBJINGSRFETM-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

2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine (CID 168590804) is 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(OCc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
The InChIKey is DOLBJINGSRFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-13-5-4-11(7-14(13)17)9-22-12-3-1-2-10(6-12)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21).
What are the key properties of 2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine?
2-[[3-[(4-chloro-3-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-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).