N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide

C19H20ClFN2O3 — CID 9235761

IUPACN-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2F)cc1OCC
InChIInChI=1S/C19H20ClFN2O3/c1-3-9-26-18-15(20)10-13(11-17(18)25-4-2)12-22-23-19(24)14-7-5-6-8-16(14)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)/b22-12-
InChIKeyDABIEVARMJTJJR-UUYOSTAYSA-N
MW378.83 g/mol
LogP4.43
Rot. Bonds8

About N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide

N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 9235761) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID9235761
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2F)cc1OCC
InChIInChI=1S/C19H20ClFN2O3/c1-3-9-26-18-15(20)10-13(11-17(18)25-4-2)12-22-23-19(24)14-7-5-6-8-16(14)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)/b22-12-
InChIKeyDABIEVARMJTJJR-UUYOSTAYSA-N
XLogP4.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 54.43
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

N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509267
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
N-[(E)-[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322864
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
2-bromo-N-[(E)-[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245484
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
2-bromo-N-[(Z)-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 124537102
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
2-bromo-N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 17245478
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide (CID 9235761) is N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide is CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2F)cc1OCC.
What is the InChIKey of N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is DABIEVARMJTJJR-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-3-9-26-18-15(20)10-13(11-17(18)25-4-2)12-22-23-19(24)14-7-5-6-8-16(14)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide?
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 378.83 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 9235761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).