N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

C19H21ClN2O6 — CID 135710501

IUPACN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O
InChIInChI=1S/C19H21ClN2O6/c1-5-28-14-7-11(6-13(20)17(14)23)10-21-22-19(24)12-8-15(25-2)18(27-4)16(9-12)26-3/h6-10,23H,5H2,1-4H3,(H,22,24)/b21-10+
InChIKeyDIZBLIADRLRNMM-UFFVCSGVSA-N
MW408.84 g/mol
LogP3.23
Rot. Bonds8

About N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (PubChem CID 135710501) has the molecular formula C19H21ClN2O6 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
PubChem CID135710501
Molecular FormulaC19H21ClN2O6
Molecular Weight408.84 g/mol
Exact Mass408.11
IUPAC NameN-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O
InChIInChI=1S/C19H21ClN2O6/c1-5-28-14-7-11(6-13(20)17(14)23)10-21-22-19(24)12-8-15(25-2)18(27-4)16(9-12)26-3/h6-10,23H,5H2,1-4H3,(H,22,24)/b21-10+
InChIKeyDIZBLIADRLRNMM-UFFVCSGVSA-N
XLogP3.23
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-ethoxy-4-methoxybenzamide
CID 137160364
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 135747933
5-bromo-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1381873
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156000
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 137059421

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide (CID 135710501) is N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
The InChIKey is DIZBLIADRLRNMM-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H21ClN2O6/c1-5-28-14-7-11(6-13(20)17(14)23)10-21-22-19(24)12-8-15(25-2)18(27-4)16(9-12)26-3/h6-10,23H,5H2,1-4H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide?
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide has a molecular weight of 408.84 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 135710501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).