N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide

C19H20ClN3O4 — CID 137078963

IUPACN'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O
InChIInChI=1S/C19H20ClN3O4/c1-4-27-15-9-13(8-14(20)17(15)24)10-21-23-19(26)18(25)22-16-11(2)6-5-7-12(16)3/h5-10,24H,4H2,1-3H3,(H,22,25)(H,23,26)/b21-10-
InChIKeyQNFRQTWRPOSTNY-FBHDLOMBSA-N
MW389.84 g/mol
LogP3.15
Rot. Bonds5

About N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide

N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide (PubChem CID 137078963) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide
PubChem CID137078963
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O
InChIInChI=1S/C19H20ClN3O4/c1-4-27-15-9-13(8-14(20)17(15)24)10-21-23-19(26)18(25)22-16-11(2)6-5-7-12(16)3/h5-10,24H,4H2,1-3H3,(H,22,25)(H,23,26)/b21-10-
InChIKeyQNFRQTWRPOSTNY-FBHDLOMBSA-N
XLogP3.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 137079049
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 137059421
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126256117
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126160632
N'-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 4195704
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
(2S)-N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 137138694
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 135554219
N'-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 136845042
N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 137034416
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 795240

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide (CID 137078963) is N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide is CCOc1cc(/C=N\NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1O.
What is the InChIKey of N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
The InChIKey is QNFRQTWRPOSTNY-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-4-27-15-9-13(8-14(20)17(15)24)10-21-23-19(26)18(25)22-16-11(2)6-5-7-12(16)3/h5-10,24H,4H2,1-3H3,(H,22,25)(H,23,26)/b21-10-.
What are the key properties of N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide?
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide has a molecular weight of 389.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 137078963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).