N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide

C19H20ClN3O3 — CID 8898963

IUPACN-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-12-26-16-10-8-15(9-11-16)22-18(24)19(25)23-21-13-14-6-4-5-7-17(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyKWGKESYSJDYAGR-BKUYFWCQSA-N
MW373.84 g/mol
LogP3.61
Rot. Bonds7

About N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide

N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide (PubChem CID 8898963) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
PubChem CID8898963
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
SMILESCCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-2-3-12-26-16-10-8-15(9-11-16)22-18(24)19(25)23-21-13-14-6-4-5-7-17(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,24)(H,23,25)/b21-13-
InChIKeyKWGKESYSJDYAGR-BKUYFWCQSA-N
XLogP3.61
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
2-[2-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989584
N-(4-butoxyphenyl)-N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931666
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 2244299
N-(4-butoxyphenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 126259138
N-(4-butoxyphenyl)-N'-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 137079063
N-(4-ethoxyphenyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 5333273
N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
N'-[(Z)-[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126175339

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide (CID 8898963) is N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide is CCCCOc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Cl)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
The InChIKey is KWGKESYSJDYAGR-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-2-3-12-26-16-10-8-15(9-11-16)22-18(24)19(25)23-21-13-14-6-4-5-7-17(14)20/h4-11,13H,2-3,12H2,1H3,(H,22,24)(H,23,25)/b21-13-.
What are the key properties of N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide?
N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide has a molecular weight of 373.84 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 8898963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).