N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide

C18H18ClN3O3 — CID 2400594

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)C=NOCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-13-6-8-15(9-7-13)22-17(23)11-21-25-12-18(24)20-10-14-4-2-3-5-16(14)19/h2-9,11H,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyXXVOJVWPROHPES-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.91
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 2400594) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID2400594
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCc1ccc(NC(=O)C=NOCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-13-6-8-15(9-7-13)22-17(23)11-21-25-12-18(24)20-10-14-4-2-3-5-16(14)19/h2-9,11H,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyXXVOJVWPROHPES-UHFFFAOYSA-N
XLogP2.91
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide (CID 2400594) is N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide is Cc1ccc(NC(=O)C=NOCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is XXVOJVWPROHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-13-6-8-15(9-7-13)22-17(23)11-21-25-12-18(24)20-10-14-4-2-3-5-16(14)19/h2-9,11H,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 359.81 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 2400594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).