3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide

C17H17ClN2O2 — CID 4065156

IUPAC3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-22-16-9-7-13(8-10-16)12(2)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyITPHGCZJGTWSFV-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.89
Rot. Bonds5

About 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide

3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (PubChem CID 4065156) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
PubChem CID4065156
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-22-16-9-7-13(8-10-16)12(2)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyITPHGCZJGTWSFV-UHFFFAOYSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.89
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

N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
3-chloro-N-[[(3-chlorobenzoyl)amino]-(4-ethoxyphenyl)methyl]benzamide
CID 4636503
3-chloro-N-[3-[(Z)-N-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 43881919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide (CID 4065156) is 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is CCOc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is ITPHGCZJGTWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-3-22-16-9-7-13(8-10-16)12(2)19-20-17(21)14-5-4-6-15(18)11-14/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide?
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4065156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).