(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine

C12H9ClN2O — CID 92523787

IUPAC(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
SMILESClc1ccccc1/C=N/N=C\c1ccco1
InChIInChI=1S/C12H9ClN2O/c13-12-6-2-1-4-10(12)8-14-15-9-11-5-3-7-16-11/h1-9H/b14-8+,15-9-
InChIKeyCNXJIVDSFZBVPF-YVKOIJOCSA-N
MW232.67 g/mol
LogP3.39
Rot. Bonds3

About (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine

(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine (PubChem CID 92523787) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
PubChem CID92523787
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine
SMILESClc1ccccc1/C=N/N=C\c1ccco1
InChIInChI=1S/C12H9ClN2O/c13-12-6-2-1-4-10(12)8-14-15-9-11-5-3-7-16-11/h1-9H/b14-8+,15-9-
InChIKeyCNXJIVDSFZBVPF-YVKOIJOCSA-N
XLogP3.39
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.39
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 (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478746
(E)-1-(furan-2-yl)-N-[(Z)-[2,3,5,6-tetrachloro-4-[(E)-[(Z)-furan-2-ylmethylidenehydrazinylidene]methyl]phenyl]methylideneamino]methanimine
CID 54606337
(E)-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanimine
CID 46707076
4-chloro-2-[(Z)-[(E)-furan-2-ylmethylidenehydrazinylidene]methyl]phenol
CID 135478753
(Z)-1-(2-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
CID 54601550
4-bromo-2-[(E)-(furan-2-ylmethylidenehydrazinylidene)methyl]phenol
CID 135607691
1-(furan-2-yl)-N-[2-(furan-2-ylmethylideneamino)phenyl]methanimine
CID 10015655
1-(furan-2-yl)-N-oxidomethanimine
CID 135527449
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
(E,Z)-N-[(E)-furan-2-ylmethylideneamino]-2-methyl-3-phenylprop-2-en-1-imine
CID 54606331
(Z)-1-(3-bromophenyl)-N-[(E)-furan-2-ylmethylideneamino]methanimine
CID 54610300
2-[(E)-2-bromoethenyl]furan
CID 10899150

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine (CID 92523787) is (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine is Clc1ccccc1/C=N/N=C\c1ccco1.
What is the InChIKey of (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine?
The InChIKey is CNXJIVDSFZBVPF-YVKOIJOCSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-12-6-2-1-4-10(12)8-14-15-9-11-5-3-7-16-11/h1-9H/b14-8+,15-9-.
What are the key properties of (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine?
(E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine has a molecular weight of 232.67 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-N-[(Z)-furan-2-ylmethylideneamino]methanimine is sourced from PubChem (CID 92523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).