N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C25H23ClN4O4 — CID 126262528

IUPACN-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O4/c1-2-18-6-3-4-9-22(18)29-23(31)16-34-21-12-10-17(11-13-21)15-27-30-25(33)24(32)28-20-8-5-7-19(26)14-20/h3-15H,2,16H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-
InChIKeyOCQSQMBSAKIXEV-DICXZTSXSA-N
MW478.94 g/mol
LogP4.01
Rot. Bonds8

About N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126262528) has the molecular formula C25H23ClN4O4 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126262528
Molecular FormulaC25H23ClN4O4
Molecular Weight478.94 g/mol
Exact Mass478.14
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C25H23ClN4O4/c1-2-18-6-3-4-9-22(18)29-23(31)16-34-21-12-10-17(11-13-21)15-27-30-25(33)24(32)28-20-8-5-7-19(26)14-20/h3-15H,2,16H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-
InChIKeyOCQSQMBSAKIXEV-DICXZTSXSA-N
XLogP4.01
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-chlorophenyl)-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126271690
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126264692
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276766
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258955
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 94832281
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567
N-(3-chlorophenyl)-N'-[(Z)-[3-ethoxy-4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174886
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 94832791
N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126279386

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126262528) is N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is CCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is OCQSQMBSAKIXEV-DICXZTSXSA-N. The full InChI is InChI=1S/C25H23ClN4O4/c1-2-18-6-3-4-9-22(18)29-23(31)16-34-21-12-10-17(11-13-21)15-27-30-25(33)24(32)28-20-8-5-7-19(26)14-20/h3-15H,2,16H2,1H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 478.94 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126262528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).