methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate

C17H14Cl2N2O2 — CID 101431616

IUPACmethyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate
SMILESCO/C(=N\c1c(Cl)cccc1Cl)C(OC)c1ccc(C#N)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-22-16(12-8-6-11(10-20)7-9-12)17(23-2)21-15-13(18)4-3-5-14(15)19/h3-9,16H,1-2H3/b21-17-
InChIKeyZJDBKHIYNJYQAC-FXBPSFAMSA-N
MW349.22 g/mol
LogP4.93
Rot. Bonds4

About methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate

methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate (PubChem CID 101431616) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate.

Molecular Properties

Compound Namemethyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate
PubChem CID101431616
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Namemethyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate
SMILESCO/C(=N\c1c(Cl)cccc1Cl)C(OC)c1ccc(C#N)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-22-16(12-8-6-11(10-20)7-9-12)17(23-2)21-15-13(18)4-3-5-14(15)19/h3-9,16H,1-2H3/b21-17-
InChIKeyZJDBKHIYNJYQAC-FXBPSFAMSA-N
XLogP4.93
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
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

4-[2-(2,6-dichlorophenoxy)-1-hydroxyethyl]benzonitrile
CID 109414040
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
4-[(4-cyanophenyl)-(2-propan-2-ylidenehydrazinyl)methyl]benzonitrile
CID 89001041
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
4-[(S)-amino-(4-chlorophenyl)methyl]benzonitrile
CID 124679834
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
2-chloro-N-[1-[1-(4-cyanophenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 55583536

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate?
The IUPAC name of methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate (CID 101431616) is methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate.
What is the SMILES notation for methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate?
The canonical SMILES for methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate is CO/C(=N\c1c(Cl)cccc1Cl)C(OC)c1ccc(C#N)cc1.
What is the InChIKey of methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate?
The InChIKey is ZJDBKHIYNJYQAC-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-22-16(12-8-6-11(10-20)7-9-12)17(23-2)21-15-13(18)4-3-5-14(15)19/h3-9,16H,1-2H3/b21-17-.
What are the key properties of methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate?
methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate has a molecular weight of 349.22 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyanophenyl)-N-(2,6-dichlorophenyl)-2-methoxyethanimidate is sourced from PubChem (CID 101431616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).