N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide

C21H23ClN4O4 — CID 94832281

IUPACN'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN4O4/c1-14(2)11-23-20(28)21(29)26-24-12-15-6-8-18(9-7-15)30-13-19(27)25-17-5-3-4-16(22)10-17/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyNLDNKPIZTAUKML-MSXFZWOLSA-N
MW430.89 g/mol
LogP2.58
Rot. Bonds8

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

N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 94832281) has the molecular formula C21H23ClN4O4 and a molecular weight of 430.89 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID94832281
Molecular FormulaC21H23ClN4O4
Molecular Weight430.89 g/mol
Exact Mass430.14
IUPAC NameN'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H23ClN4O4/c1-14(2)11-23-20(28)21(29)26-24-12-15-6-8-18(9-7-15)30-13-19(27)25-17-5-3-4-16(22)10-17/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-
InChIKeyNLDNKPIZTAUKML-MSXFZWOLSA-N
XLogP2.58
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.58
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)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126266123
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126172433
N'-[(Z)-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126181524
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126264692
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126271690
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262528
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126258955
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718
N-(3-chlorophenyl)-2-[4-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5429335
N-(3-chlorophenyl)-2-[4-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 6876847
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126270318
2,4-dichloro-N-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850563

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide (CID 94832281) is N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is NLDNKPIZTAUKML-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H23ClN4O4/c1-14(2)11-23-20(28)21(29)26-24-12-15-6-8-18(9-7-15)30-13-19(27)25-17-5-3-4-16(22)10-17/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)(H,25,27)(H,26,29)/b24-12-.
What are the key properties of N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 430.89 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 94832281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).