2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

C16H16ClFN4O2 — CID 110339029

IUPAC2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-23-15-7-10(8-21-22-16(19)20)5-6-14(15)24-9-11-12(17)3-2-4-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+
InChIKeyFOQLWIMCISZFEG-ODCIPOBUSA-N
MW350.78 g/mol
LogP2.67
Rot. Bonds6

About 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine

2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (PubChem CID 110339029) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
PubChem CID110339029
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cc(/C=N/N=C(N)N)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-23-15-7-10(8-21-22-16(19)20)5-6-14(15)24-9-11-12(17)3-2-4-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+
InChIKeyFOQLWIMCISZFEG-ODCIPOBUSA-N
XLogP2.67
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110338402
2-[(E)-[4-[(4-fluoro-2,3,5,6-tetramethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 143142829
2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592710
(Z)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7698050
2-amino-N-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110339039
N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
CID 19661226
2-[(E)-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 121456701
[[(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]thiourea
CID 102535138
3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 20984780
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
4-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5450791
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (CID 110339029) is 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is COc1cc(/C=N/N=C(N)N)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is FOQLWIMCISZFEG-ODCIPOBUSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-23-15-7-10(8-21-22-16(19)20)5-6-14(15)24-9-11-12(17)3-2-4-13(11)18/h2-8H,9H2,1H3,(H4,19,20,22)/b21-8+.
What are the key properties of 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine has a molecular weight of 350.78 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 110339029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).