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

C16H16ClFN4O2 — CID 168592741

IUPAC2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H4,19,20,22)
InChIKeyYCHXVNITAUZLHQ-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.67
Rot. Bonds6

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

2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (PubChem CID 168592741) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
PubChem CID168592741
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
SMILESCOc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H4,19,20,22)
InChIKeyYCHXVNITAUZLHQ-UHFFFAOYSA-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-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168592699
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592486

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine (CID 168592741) is 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is COc1cccc(C=NN=C(N)N)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
The InChIKey is YCHXVNITAUZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-23-14-4-2-3-10(8-21-22-16(19)20)15(14)24-9-11-5-6-12(18)7-13(11)17/h2-8H,9H2,1H3,(H4,19,20,22).
What are the key properties of 2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine?
2-[[2-[(2-chloro-4-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-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).