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

C25H23FN4O5 — CID 126277729

IUPACN'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H23FN4O5/c1-2-34-21-12-10-19(11-13-21)28-23(31)16-35-22-5-3-4-17(14-22)15-27-30-25(33)24(32)29-20-8-6-18(26)7-9-20/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-
InChIKeyVBMCTUZNFXGQHU-DICXZTSXSA-N
MW478.48 g/mol
LogP3.33
Rot. Bonds9

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

N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 126277729) has the molecular formula C25H23FN4O5 and a molecular weight of 478.48 g/mol. Its IUPAC name is N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID126277729
Molecular FormulaC25H23FN4O5
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC NameN'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H23FN4O5/c1-2-34-21-12-10-19(11-13-21)28-23(31)16-35-22-5-3-4-17(14-22)15-27-30-25(33)24(32)29-20-8-6-18(26)7-9-20/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-
InChIKeyVBMCTUZNFXGQHU-DICXZTSXSA-N
XLogP3.33
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126165869
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173063
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126262038
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126273567
N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266822
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126264504
N-(4-fluorophenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260706
N'-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164295
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
N'-[(Z)-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126160371
N'-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126174676
N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126270834

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide (CID 126277729) is N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide is CCOc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is VBMCTUZNFXGQHU-DICXZTSXSA-N. The full InChI is InChI=1S/C25H23FN4O5/c1-2-34-21-12-10-19(11-13-21)28-23(31)16-35-22-5-3-4-17(14-22)15-27-30-25(33)24(32)29-20-8-6-18(26)7-9-20/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-.
What are the key properties of N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 478.48 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 126277729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).