N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide

C17H14BrCl2N3O4 — CID 135554219

IUPACN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O
InChIInChI=1S/C17H14BrCl2N3O4/c1-2-27-13-7-9(6-10(18)15(13)24)8-21-23-17(26)16(25)22-12-5-3-4-11(19)14(12)20/h3-8,24H,2H2,1H3,(H,22,25)(H,23,26)/b21-8+
InChIKeyITXGDIFCOZZFQY-ODCIPOBUSA-N
MW475.13 g/mol
LogP3.95
Rot. Bonds5

About N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide (PubChem CID 135554219) has the molecular formula C17H14BrCl2N3O4 and a molecular weight of 475.13 g/mol. Its IUPAC name is N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
PubChem CID135554219
Molecular FormulaC17H14BrCl2N3O4
Molecular Weight475.13 g/mol
Exact Mass472.95
IUPAC NameN'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O
InChIInChI=1S/C17H14BrCl2N3O4/c1-2-27-13-7-9(6-10(18)15(13)24)8-21-23-17(26)16(25)22-12-5-3-4-11(19)14(12)20/h3-8,24H,2H2,1H3,(H,22,25)(H,23,26)/b21-8+
InChIKeyITXGDIFCOZZFQY-ODCIPOBUSA-N
XLogP3.95
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.13
LogP ≤ 53.95
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-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 136845042
N'-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 4195704
N'-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 4072886
N'-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 137126994
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 137059421
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-carbamoylphenyl)oxamide
CID 135554209
N'-[(3-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5138659
N'-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 4255689
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126163255
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135433204
N-(2,3-dichlorophenyl)-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126173651
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The IUPAC name of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide (CID 135554219) is N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O.
What is the InChIKey of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide?
The InChIKey is ITXGDIFCOZZFQY-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H14BrCl2N3O4/c1-2-27-13-7-9(6-10(18)15(13)24)8-21-23-17(26)16(25)22-12-5-3-4-11(19)14(12)20/h3-8,24H,2H2,1H3,(H,22,25)(H,23,26)/b21-8+.
What are the key properties of N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide?
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 475.13 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 135554219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).