2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide

C23H18ClN3O2 — CID 4035879

IUPAC2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C23H18ClN3O2/c1-16(18-12-10-17(14-25)11-13-18)26-27-23(28)20-7-3-5-9-22(20)29-15-19-6-2-4-8-21(19)24/h2-13H,15H2,1H3,(H,27,28)
InChIKeyFUZMJAVXBDDTQT-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.94
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide

2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide (PubChem CID 4035879) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
PubChem CID4035879
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C23H18ClN3O2/c1-16(18-12-10-17(14-25)11-13-18)26-27-23(28)20-7-3-5-9-22(20)29-15-19-6-2-4-8-21(19)24/h2-13H,15H2,1H3,(H,27,28)
InChIKeyFUZMJAVXBDDTQT-UHFFFAOYSA-N
XLogP4.94
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 5254182
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
2-[(2-chlorophenyl)methoxy]-N-(fluoren-9-ylideneamino)benzamide
CID 2367127
N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
CID 5183598
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
CID 24635798
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide (CID 4035879) is 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
The InChIKey is FUZMJAVXBDDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-16(18-12-10-17(14-25)11-13-18)26-27-23(28)20-7-3-5-9-22(20)29-15-19-6-2-4-8-21(19)24/h2-13H,15H2,1H3,(H,27,28).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide has a molecular weight of 403.87 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4035879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).