N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

C19H21ClN2O5 — CID 9460784

IUPACN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-5-27-18-16(20)6-12(7-17(18)26-4)11-21-22-19(23)13-8-14(24-2)10-15(9-13)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-
InChIKeyCMGLPIURVIGUOY-NHDPSOOVSA-N
MW392.84 g/mol
LogP3.53
Rot. Bonds8

About N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 9460784) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID9460784
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCCOc1c(Cl)cc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-5-27-18-16(20)6-12(7-17(18)26-4)11-21-22-19(23)13-8-14(24-2)10-15(9-13)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-
InChIKeyCMGLPIURVIGUOY-NHDPSOOVSA-N
XLogP3.53
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518654
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 3597843
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
[2-chloro-6-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3321219
2-amino-N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510273

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 9460784) is N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(OC)cc(OC)c2)cc1OC.
What is the InChIKey of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is CMGLPIURVIGUOY-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-5-27-18-16(20)6-12(7-17(18)26-4)11-21-22-19(23)13-8-14(24-2)10-15(9-13)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 392.84 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 9460784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).