N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide

C23H18ClFN4O4 — CID 126265929

IUPACN'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClFN4O4/c24-18-6-2-3-7-19(18)28-21(30)14-33-20-8-4-1-5-15(20)13-26-29-23(32)22(31)27-17-11-9-16(25)10-12-17/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32)/b26-13-
InChIKeyDWNGLANBIOPUAT-ZMFRSBBQSA-N
MW468.87 g/mol
LogP3.59
Rot. Bonds7

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

N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 126265929) has the molecular formula C23H18ClFN4O4 and a molecular weight of 468.87 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID126265929
Molecular FormulaC23H18ClFN4O4
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC NameN'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESO=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClFN4O4/c24-18-6-2-3-7-19(18)28-21(30)14-33-20-8-4-1-5-15(20)13-26-29-23(32)22(31)27-17-11-9-16(25)10-12-17/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32)/b26-13-
InChIKeyDWNGLANBIOPUAT-ZMFRSBBQSA-N
XLogP3.59
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 53.59
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-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126263932
N'-[(Z)-[5-bromo-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126166664
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126176882
N-(3-chlorophenyl)-N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258874
N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126157864
N-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126156631
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126176224
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173978
N'-[(Z)-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126162680

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide (CID 126265929) is N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide is O=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is DWNGLANBIOPUAT-ZMFRSBBQSA-N. The full InChI is InChI=1S/C23H18ClFN4O4/c24-18-6-2-3-7-19(18)28-21(30)14-33-20-8-4-1-5-15(20)13-26-29-23(32)22(31)27-17-11-9-16(25)10-12-17/h1-13H,14H2,(H,27,31)(H,28,30)(H,29,32)/b26-13-.
What are the key properties of N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 468.87 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 126265929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).