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

C23H17Cl3N4O4 — CID 126258874

IUPACN-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl3N4O4/c24-15-5-3-6-17(10-15)28-22(32)23(33)30-27-12-14-4-1-2-7-20(14)34-13-21(31)29-19-9-8-16(25)11-18(19)26/h1-12H,13H2,(H,28,32)(H,29,31)(H,30,33)/b27-12-
InChIKeyURTILSKIDPWPID-PPDIBHTLSA-N
MW519.77 g/mol
LogP4.75
Rot. Bonds7

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

N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126258874) has the molecular formula C23H17Cl3N4O4 and a molecular weight of 519.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126258874
Molecular FormulaC23H17Cl3N4O4
Molecular Weight519.77 g/mol
Exact Mass518.03
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl3N4O4/c24-15-5-3-6-17(10-15)28-22(32)23(33)30-27-12-14-4-1-2-7-20(14)34-13-21(31)29-19-9-8-16(25)11-18(19)26/h1-12H,13H2,(H,28,32)(H,29,31)(H,30,33)/b27-12-
InChIKeyURTILSKIDPWPID-PPDIBHTLSA-N
XLogP4.75
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.77
LogP ≤ 54.75
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)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126173463
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126268243
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126265929
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126176882
N'-[(Z)-[5-bromo-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126157709
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126176224
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126156631
N'-[(Z)-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126162680
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126268961

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126258874) is N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is O=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is URTILSKIDPWPID-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H17Cl3N4O4/c24-15-5-3-6-17(10-15)28-22(32)23(33)30-27-12-14-4-1-2-7-20(14)34-13-21(31)29-19-9-8-16(25)11-18(19)26/h1-12H,13H2,(H,28,32)(H,29,31)(H,30,33)/b27-12-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 519.77 g/mol, XLogP of 4.75, 7 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)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126258874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).