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

C23H17Cl2FN4O4 — CID 126264285

IUPACN'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2FN4O4/c24-15-8-9-19(17(25)11-15)28-21(31)13-34-16-5-3-4-14(10-16)12-27-30-23(33)22(32)29-20-7-2-1-6-18(20)26/h1-12H,13H2,(H,28,31)(H,29,32)(H,30,33)/b27-12-
InChIKeyRKUNUSAWQROJNV-PPDIBHTLSA-N
MW503.32 g/mol
LogP4.24
Rot. Bonds7

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

N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 126264285) has the molecular formula C23H17Cl2FN4O4 and a molecular weight of 503.32 g/mol. Its IUPAC name is N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID126264285
Molecular FormulaC23H17Cl2FN4O4
Molecular Weight503.32 g/mol
Exact Mass502.06
IUPAC NameN'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESO=C(COc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2FN4O4/c24-15-8-9-19(17(25)11-15)28-21(31)13-34-16-5-3-4-14(10-16)12-27-30-23(33)22(32)29-20-7-2-1-6-18(20)26/h1-12H,13H2,(H,28,31)(H,29,32)(H,30,33)/b27-12-
InChIKeyRKUNUSAWQROJNV-PPDIBHTLSA-N
XLogP4.24
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.32
LogP ≤ 54.24
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-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
CID 126171597
N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126182314
N-(2-fluorophenyl)-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269846
N'-[(Z)-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126181675
N'-[(Z)-[3-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126272330
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 124551297
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126270674
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 126180453
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161944
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266822

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (CID 126264285) is N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is O=C(COc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is RKUNUSAWQROJNV-PPDIBHTLSA-N. The full InChI is InChI=1S/C23H17Cl2FN4O4/c24-15-8-9-19(17(25)11-15)28-21(31)13-34-16-5-3-4-14(10-16)12-27-30-23(33)22(32)29-20-7-2-1-6-18(20)26/h1-12H,13H2,(H,28,31)(H,29,32)(H,30,33)/b27-12-.
What are the key properties of N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 503.32 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 126264285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).