1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

C17H13ClN2O2 — CID 540876

IUPAC1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-11(21)20-15-5-3-2-4-14(15)17(22)16(20)10-19-13-8-6-12(18)7-9-13/h2-10,22H,1H3/b19-10+
InChIKeyQOZAEQOCJZDXTM-VXLYETTFSA-N
MW312.76 g/mol
LogP4.41
Rot. Bonds2

About 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone

1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (PubChem CID 540876) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
PubChem CID540876
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone
SMILESCC(=O)n1c(/C=N/c2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-11(21)20-15-5-3-2-4-14(15)17(22)16(20)10-19-13-8-6-12(18)7-9-13/h2-10,22H,1H3/b19-10+
InChIKeyQOZAEQOCJZDXTM-VXLYETTFSA-N
XLogP4.41
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The IUPAC name of 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone (CID 540876) is 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is CC(=O)n1c(/C=N/c2ccc(Cl)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
The InChIKey is QOZAEQOCJZDXTM-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(21)20-15-5-3-2-4-14(15)17(22)16(20)10-19-13-8-6-12(18)7-9-13/h2-10,22H,1H3/b19-10+.
What are the key properties of 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone?
1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone has a molecular weight of 312.76 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)iminomethyl]-3-hydroxyindol-1-yl]ethanone is sourced from PubChem (CID 540876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).