N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide

C18H18ClN3O4 — CID 135554180

IUPACN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-10-4-6-13(9-14(10)19)20-17(24)18(25)22-21-11(2)12-5-7-15(23)16(8-12)26-3/h4-9,23H,1-3H3,(H,20,24)(H,22,25)/b21-11+
InChIKeyLILMSWCDAXLNRX-SRZZPIQSSA-N
MW375.81 g/mol
LogP2.84
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide (PubChem CID 135554180) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
PubChem CID135554180
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-10-4-6-13(9-14(10)19)20-17(24)18(25)22-21-11(2)12-5-7-15(23)16(8-12)26-3/h4-9,23H,1-3H3,(H,20,24)(H,22,25)/b21-11+
InChIKeyLILMSWCDAXLNRX-SRZZPIQSSA-N
XLogP2.84
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.84
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-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135722639
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
[4-[N-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 2-methylbenzoate
CID 3322567
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
CID 19661726
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(3,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135659478
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-(4-bromophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 3676741
[4-[(E)-N-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 19660760
N-(2,5-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 4097302

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide (CID 135554180) is N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide is COc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide?
The InChIKey is LILMSWCDAXLNRX-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-10-4-6-13(9-14(10)19)20-17(24)18(25)22-21-11(2)12-5-7-15(23)16(8-12)26-3/h4-9,23H,1-3H3,(H,20,24)(H,22,25)/b21-11+.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide has a molecular weight of 375.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 135554180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).