N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide

C26H25FN4O5 — CID 126262196

IUPACN'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C26H25FN4O5/c1-3-18-8-4-6-10-20(18)29-24(32)16-36-22-13-12-17(14-23(22)35-2)15-28-31-26(34)25(33)30-21-11-7-5-9-19(21)27/h4-15H,3,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-15-
InChIKeyNKPMKHKEEINSAH-MBTHVWNTSA-N
MW492.51 g/mol
LogP3.50
Rot. Bonds9

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

N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (PubChem CID 126262196) has the molecular formula C26H25FN4O5 and a molecular weight of 492.51 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
PubChem CID126262196
Molecular FormulaC26H25FN4O5
Molecular Weight492.51 g/mol
Exact Mass492.18
IUPAC NameN'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
SMILESCCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C26H25FN4O5/c1-3-18-8-4-6-10-20(18)29-24(32)16-36-22-13-12-17(14-23(22)35-2)15-28-31-26(34)25(33)30-21-11-7-5-9-19(21)27/h4-15H,3,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-15-
InChIKeyNKPMKHKEEINSAH-MBTHVWNTSA-N
XLogP3.50
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.50
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)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126269804
N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126274175
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126170289
N-(2-fluorophenyl)-N'-[(Z)-[3-methoxy-4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126265377
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126258311
N'-[(Z)-[3-ethoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126165010
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19661771
N'-[(Z)-[2-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126266532
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126179827
ethyl 2-[4-[[[3-(2-fluoroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3990282

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide (CID 126262196) is N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is CCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
The InChIKey is NKPMKHKEEINSAH-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H25FN4O5/c1-3-18-8-4-6-10-20(18)29-24(32)16-36-22-13-12-17(14-23(22)35-2)15-28-31-26(34)25(33)30-21-11-7-5-9-19(21)27/h4-15H,3,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/b28-15-.
What are the key properties of N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide?
N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide has a molecular weight of 492.51 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide is sourced from PubChem (CID 126262196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).