4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide

C16H15ClN2O2 — CID 5402776

IUPAC4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-9-3-12(4-10-15)11-18-19-16(20)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b18-11-
InChIKeyGJNNXAMSBRLSMR-WQRHYEAKSA-N
MW302.76 g/mol
LogP3.50
Rot. Bonds5

About 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide (PubChem CID 5402776) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
PubChem CID5402776
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-9-3-12(4-10-15)11-18-19-16(20)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b18-11-
InChIKeyGJNNXAMSBRLSMR-WQRHYEAKSA-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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Related Compounds

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
N-[(4-chlorophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927381
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide (CID 5402776) is 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide is CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide?
The InChIKey is GJNNXAMSBRLSMR-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-21-15-9-3-12(4-10-15)11-18-19-16(20)13-5-7-14(17)8-6-13/h3-11H,2H2,1H3,(H,19,20)/b18-11-.
What are the key properties of 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(4-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 4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5402776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).