N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide

C18H19ClN2O5 — CID 135884091

IUPACN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(OC)c1O
InChIInChI=1S/C18H19ClN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)9-16(24-2)18(12)23/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeyKQQJOYMFHCUHQG-JMIUGGIZSA-N
MW378.81 g/mol
LogP2.98
Rot. Bonds8

About N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide

N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 135884091) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
PubChem CID135884091
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(OC)c1O
InChIInChI=1S/C18H19ClN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)9-16(24-2)18(12)23/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeyKQQJOYMFHCUHQG-JMIUGGIZSA-N
XLogP2.98
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884089
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135827890
2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136663488
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135614416
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407
methyl N-[(E)-(5-chloro-3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 135578366
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 136695896
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128
ethyl 2-[2-[(Z)-[[2-(2,4,6-trichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 5440418

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide (CID 135884091) is N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)N/N=C\c1cc(Cl)cc(OC)c1O.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is KQQJOYMFHCUHQG-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-3-25-14-6-4-5-7-15(14)26-11-17(22)21-20-10-12-8-13(19)9-16(24-2)18(12)23/h4-10,23H,3,11H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide?
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 378.81 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 135884091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).