2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide

C23H20ClFN2O3 — CID 110509220

IUPAC2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C23H20ClFN2O3/c1-2-29-22-13-16(14-26-27-23(28)18-8-4-5-9-19(18)24)11-12-21(22)30-15-17-7-3-6-10-20(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14-
InChIKeyFKDBLVJPFRJNQE-WGARJPEWSA-N
MW426.88 g/mol
LogP5.22
Rot. Bonds8

About 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide

2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 110509220) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID110509220
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC Name2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C23H20ClFN2O3/c1-2-29-22-13-16(14-26-27-23(28)18-8-4-5-9-19(18)24)11-12-21(22)30-15-17-7-3-6-10-20(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14-
InChIKeyFKDBLVJPFRJNQE-WGARJPEWSA-N
XLogP5.22
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.22
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-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
2,4-dichloro-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110338078
N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5221192
N'-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8930776
N-[(E)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]pentanamide
CID 110506813
3-amino-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110512156
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 19657560
N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126317283
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 19658767

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 110509220) is 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1F.
What is the InChIKey of 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is FKDBLVJPFRJNQE-WGARJPEWSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-2-29-22-13-16(14-26-27-23(28)18-8-4-5-9-19(18)24)11-12-21(22)30-15-17-7-3-6-10-20(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14-.
What are the key properties of 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide?
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 426.88 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110509220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).