5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide

C18H19ClN2O4 — CID 4109085

IUPAC5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-16-7-5-12(9-17(16)24-3)11-20-21-18(22)14-10-13(19)6-8-15(14)23-2/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyIETABXYXTUHVPE-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.52
Rot. Bonds7

About 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 4109085) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID4109085
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
SMILESCCOc1ccc(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-4-25-16-7-5-12(9-17(16)24-3)11-20-21-18(22)14-10-13(19)6-8-15(14)23-2/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyIETABXYXTUHVPE-UHFFFAOYSA-N
XLogP3.52
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7369666
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide (CID 4109085) is 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide is CCOc1ccc(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is IETABXYXTUHVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-25-16-7-5-12(9-17(16)24-3)11-20-21-18(22)14-10-13(19)6-8-15(14)23-2/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 4109085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).