N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide

C25H23ClN4O4 — CID 126157153

IUPACN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C25H23ClN4O4/c26-21-15-19(11-12-22(21)34-17-23(31)29-20-9-5-2-6-10-20)16-28-30-25(33)24(32)27-14-13-18-7-3-1-4-8-18/h1-12,15-16H,13-14,17H2,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyFGNXLASARWDNOG-NTFVMDSBSA-N
MW478.94 g/mol
LogP3.17
Rot. Bonds9

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

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 126157153) has the molecular formula C25H23ClN4O4 and a molecular weight of 478.94 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID126157153
Molecular FormulaC25H23ClN4O4
Molecular Weight478.94 g/mol
Exact Mass478.14
IUPAC NameN'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C25H23ClN4O4/c26-21-15-19(11-12-22(21)34-17-23(31)29-20-9-5-2-6-10-20)16-28-30-25(33)24(32)27-14-13-18-7-3-1-4-8-18/h1-12,15-16H,13-14,17H2,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyFGNXLASARWDNOG-NTFVMDSBSA-N
XLogP3.17
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.17
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'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126163043
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126172454
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126177103
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161438
N'-[(Z)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170389
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126328674
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126173094
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126269635
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126276295
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277766
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide (CID 126157153) is N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide is O=C(COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1Cl)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is FGNXLASARWDNOG-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H23ClN4O4/c26-21-15-19(11-12-22(21)34-17-23(31)29-20-9-5-2-6-10-20)16-28-30-25(33)24(32)27-14-13-18-7-3-1-4-8-18/h1-12,15-16H,13-14,17H2,(H,27,32)(H,29,31)(H,30,33)/b28-16-.
What are the key properties of N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 478.94 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 126157153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).