ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate

C18H17Cl2N3O — CID 58988264

IUPACethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
SMILES[H]/N=C(/Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OCC
InChIInChI=1S/C18H17Cl2N3O/c1-3-24-17(21)10-16-14-6-4-5-13(18(14)22-23(16)2)12-8-7-11(19)9-15(12)20/h4-9,21H,3,10H2,1-2H3/b21-17-
InChIKeyLIBMBZOMYXTOAT-FXBPSFAMSA-N
MW362.26 g/mol
LogP5.10
Rot. Bonds4

About ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate

ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate (PubChem CID 58988264) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate.

Molecular Properties

Compound Nameethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
PubChem CID58988264
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Nameethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate
SMILES[H]/N=C(/Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OCC
InChIInChI=1S/C18H17Cl2N3O/c1-3-24-17(21)10-16-14-6-4-5-13(18(14)22-23(16)2)12-8-7-11(19)9-15(12)20/h4-9,21H,3,10H2,1-2H3/b21-17-
InChIKeyLIBMBZOMYXTOAT-FXBPSFAMSA-N
XLogP5.10
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.10
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate?
The IUPAC name of ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate (CID 58988264) is ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate.
What is the SMILES notation for ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate?
The canonical SMILES for ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate is [H]/N=C(/Cc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C)OCC.
What is the InChIKey of ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate?
The InChIKey is LIBMBZOMYXTOAT-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-3-24-17(21)10-16-14-6-4-5-13(18(14)22-23(16)2)12-8-7-11(19)9-15(12)20/h4-9,21H,3,10H2,1-2H3/b21-17-.
What are the key properties of ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate?
ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate has a molecular weight of 362.26 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]ethanimidate is sourced from PubChem (CID 58988264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).