1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol

C16H13ClN2O — CID 135618099

IUPAC1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol
SMILES[H]/N=C(\C)c1c(O)n(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-10(18)15-13-7-2-3-8-14(13)19(16(15)20)12-6-4-5-11(17)9-12/h2-9,18,20H,1H3/b18-10+
InChIKeyMYSAFVBXSIEXNF-VCHYOVAHSA-N
MW284.75 g/mol
LogP4.38
Rot. Bonds2

About 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol

1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol (PubChem CID 135618099) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol
PubChem CID135618099
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol
SMILES[H]/N=C(\C)c1c(O)n(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H13ClN2O/c1-10(18)15-13-7-2-3-8-14(13)19(16(15)20)12-6-4-5-11(17)9-12/h2-9,18,20H,1H3/b18-10+
InChIKeyMYSAFVBXSIEXNF-VCHYOVAHSA-N
XLogP4.38
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol (CID 135618099) is 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol is [H]/N=C(\C)c1c(O)n(-c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol?
The InChIKey is MYSAFVBXSIEXNF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10(18)15-13-7-2-3-8-14(13)19(16(15)20)12-6-4-5-11(17)9-12/h2-9,18,20H,1H3/b18-10+.
What are the key properties of 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol?
1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol has a molecular weight of 284.75 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethanimidoylindol-2-ol is sourced from PubChem (CID 135618099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).