(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine

C18H16ClNO2 — CID 175907540

IUPAC(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine
SMILESCON=C1/C(=C/c2ccc(OC)cc2)Cc2c(Cl)cccc21
InChIInChI=1S/C18H16ClNO2/c1-21-14-8-6-12(7-9-14)10-13-11-16-15(18(13)20-22-2)4-3-5-17(16)19/h3-10H,11H2,1-2H3/b13-10+,20-18?
InChIKeyYKXJKHZNFSZACE-SKTWWACDSA-N
MW313.78 g/mol
LogP4.34
Rot. Bonds3

About (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine

(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine (PubChem CID 175907540) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine.

Molecular Properties

Compound Name(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine
PubChem CID175907540
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine
SMILESCON=C1/C(=C/c2ccc(OC)cc2)Cc2c(Cl)cccc21
InChIInChI=1S/C18H16ClNO2/c1-21-14-8-6-12(7-9-14)10-13-11-16-15(18(13)20-22-2)4-3-5-17(16)19/h3-10H,11H2,1-2H3/b13-10+,20-18?
InChIKeyYKXJKHZNFSZACE-SKTWWACDSA-N
XLogP4.34
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine?
The IUPAC name of (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine (CID 175907540) is (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine.
What is the SMILES notation for (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine?
The canonical SMILES for (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine is CON=C1/C(=C/c2ccc(OC)cc2)Cc2c(Cl)cccc21.
What is the InChIKey of (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine?
The InChIKey is YKXJKHZNFSZACE-SKTWWACDSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-21-14-8-6-12(7-9-14)10-13-11-16-15(18(13)20-22-2)4-3-5-17(16)19/h3-10H,11H2,1-2H3/b13-10+,20-18?.
What are the key properties of (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine?
(2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine has a molecular weight of 313.78 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-N-methoxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-imine is sourced from PubChem (CID 175907540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).