N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide

C16H15ClN2O2 — CID 6876807

IUPACN-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-9-8-14(17)10-13(15)11-18-19-16(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyJIRWZYSOPACPTB-WOJGMQOQSA-N
MW302.76 g/mol
LogP3.50
Rot. Bonds5

About N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide

N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide (PubChem CID 6876807) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide
PubChem CID6876807
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-9-8-14(17)10-13(15)11-18-19-16(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyJIRWZYSOPACPTB-WOJGMQOQSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.50
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-ethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide (CID 6876807) is N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide is CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide?
The InChIKey is JIRWZYSOPACPTB-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-21-15-9-8-14(17)10-13(15)11-18-19-16(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide?
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.50, 5 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-ethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6876807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).