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

C25H23FN4O4 — CID 126266532

IUPACN'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C25H23FN4O4/c1-2-17-9-3-6-12-20(17)28-23(31)16-34-22-14-8-4-10-18(22)15-27-30-25(33)24(32)29-21-13-7-5-11-19(21)26/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-
InChIKeyPFUBJUKOHLPFLD-DICXZTSXSA-N
MW462.48 g/mol
LogP3.49
Rot. Bonds8

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

N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 126266532) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID126266532
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC NameN'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C25H23FN4O4/c1-2-17-9-3-6-12-20(17)28-23(31)16-34-22-14-8-4-10-18(22)15-27-30-25(33)24(32)29-21-13-7-5-11-19(21)26/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-
InChIKeyPFUBJUKOHLPFLD-DICXZTSXSA-N
XLogP3.49
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.49
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-(2-fluorophenyl)-N'-[(Z)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276514
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
N-(2-fluorophenyl)-N'-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8930437
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262196
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126256565
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718
N'-[(Z)-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126165878
N-(2-ethoxyphenyl)-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260646
N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
CID 126265215
N'-[(Z)-[2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126265929
N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126175285
N'-[(2-butoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5126962

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (CID 126266532) is N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is CCc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is PFUBJUKOHLPFLD-DICXZTSXSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-2-17-9-3-6-12-20(17)28-23(31)16-34-22-14-8-4-10-18(22)15-27-30-25(33)24(32)29-21-13-7-5-11-19(21)26/h3-15H,2,16H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-15-.
What are the key properties of N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 462.48 g/mol, XLogP of 3.49, 8 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-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 126266532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).