2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide

C16H17ClFN3O2 — CID 144900876

IUPAC2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide
SMILES[H]/N=C(\N)CNc1cccc(OC)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-22-14-4-2-3-13(21-8-15(19)20)16(14)23-9-10-5-6-11(18)7-12(10)17/h2-7,21H,8-9H2,1H3,(H3,19,20)
InChIKeyOEZZCPGRGJQJRK-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.41
Rot. Bonds7

About 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide

2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide (PubChem CID 144900876) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide
PubChem CID144900876
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide
SMILES[H]/N=C(\N)CNc1cccc(OC)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-22-14-4-2-3-13(21-8-15(19)20)16(14)23-9-10-5-6-11(18)7-12(10)17/h2-7,21H,8-9H2,1H3,(H3,19,20)
InChIKeyOEZZCPGRGJQJRK-UHFFFAOYSA-N
XLogP3.41
TPSA80.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056706
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine
CID 17056803
4-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 17058448
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
(1S)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 29187859
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide?
The IUPAC name of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide (CID 144900876) is 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide.
What is the SMILES notation for 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide?
The canonical SMILES for 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide is [H]/N=C(\N)CNc1cccc(OC)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide?
The InChIKey is OEZZCPGRGJQJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-22-14-4-2-3-13(21-8-15(19)20)16(14)23-9-10-5-6-11(18)7-12(10)17/h2-7,21H,8-9H2,1H3,(H3,19,20).
What are the key properties of 2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide?
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyanilino]ethanimidamide has a molecular weight of 337.78 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 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-methoxyanilino]ethanimidamide is sourced from PubChem (CID 144900876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).