2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide

C19H21ClN2O3 — CID 7369666

IUPAC2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C19H21ClN2O3/c1-4-24-17-9-7-14(11-18(17)25-5-2)12-21-22-19(23)15-8-6-13(3)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12-
InChIKeyWIKDEUHMPFINSO-MTJSOVHGSA-N
MW360.84 g/mol
LogP4.21
Rot. Bonds7

About 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide

2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 7369666) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
PubChem CID7369666
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
SMILESCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2Cl)cc1OCC
InChIInChI=1S/C19H21ClN2O3/c1-4-24-17-9-7-14(11-18(17)25-5-2)12-21-22-19(23)15-8-6-13(3)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12-
InChIKeyWIKDEUHMPFINSO-MTJSOVHGSA-N
XLogP4.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.21
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

2-chloro-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135905932
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 135926013
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
2-chloro-N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126059474
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
2-chloro-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058298
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135554727
2-chloro-4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137064962
2-chloro-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135926015
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide (CID 7369666) is 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide is CCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is WIKDEUHMPFINSO-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-24-17-9-7-14(11-18(17)25-5-2)12-21-22-19(23)15-8-6-13(3)10-16(15)20/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12-.
What are the key properties of 2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide?
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 360.84 g/mol, XLogP of 4.21, 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)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 7369666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).