N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide

C15H12ClFN2O2 — CID 5338707

IUPACN-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c1-21-14-6-5-12(16)7-11(14)9-18-19-15(20)10-3-2-4-13(17)8-10/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyQEJJJMRMSBSHBM-GIJQJNRQSA-N
MW306.72 g/mol
LogP3.25
Rot. Bonds4

About N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 5338707) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID5338707
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(F)c1
InChIInChI=1S/C15H12ClFN2O2/c1-21-14-6-5-12(16)7-11(14)9-18-19-15(20)10-3-2-4-13(17)8-10/h2-9H,1H3,(H,19,20)/b18-9+
InChIKeyQEJJJMRMSBSHBM-GIJQJNRQSA-N
XLogP3.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide (CID 5338707) is N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide is COc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is QEJJJMRMSBSHBM-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-21-14-6-5-12(16)7-11(14)9-18-19-15(20)10-3-2-4-13(17)8-10/h2-9H,1H3,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 306.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 5338707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).