2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide

C18H19ClN2O3 — CID 110509275

IUPAC2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)c(OCC)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-14-10-9-13(17(11-14)24-4-2)12-20-21-18(22)15-7-5-6-8-16(15)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-
InChIKeyCARQKOHINIKCBI-NDENLUEZSA-N
MW346.81 g/mol
LogP3.90
Rot. Bonds7

About 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide (PubChem CID 110509275) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
PubChem CID110509275
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)c(OCC)c1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-14-10-9-13(17(11-14)24-4-2)12-20-21-18(22)15-7-5-6-8-16(15)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-
InChIKeyCARQKOHINIKCBI-NDENLUEZSA-N
XLogP3.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
CID 24818496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide (CID 110509275) is 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide is CCOc1ccc(/C=N\NC(=O)c2ccccc2Cl)c(OCC)c1.
What is the InChIKey of 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide?
The InChIKey is CARQKOHINIKCBI-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-23-14-10-9-13(17(11-14)24-4-2)12-20-21-18(22)15-7-5-6-8-16(15)19/h5-12H,3-4H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110509275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).