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

C16H15ClN2O2 — CID 904314

IUPAC2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyJQCPJASBYNHRSZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.50
Rot. Bonds5

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

2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide (PubChem CID 904314) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
PubChem CID904314
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20)
InChIKeyJQCPJASBYNHRSZ-UHFFFAOYSA-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

2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide (CID 904314) is 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide is CCOc1ccccc1C=NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide?
The InChIKey is JQCPJASBYNHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-21-15-10-6-3-7-12(15)11-18-19-16(20)13-8-4-5-9-14(13)17/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(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 2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 904314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).