N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

C17H17ClN2O2 — CID 7705226

IUPACN-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-6-14(7-4-12)10-19-22-11-17(21)20-15-8-5-13(2)16(18)9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyWVLVRHSAGQZLCC-GRSHGNNSSA-N
MW316.79 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7705226) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7705226
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-6-14(7-4-12)10-19-22-11-17(21)20-15-8-5-13(2)16(18)9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyWVLVRHSAGQZLCC-GRSHGNNSSA-N
XLogP3.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7662824
N-(2,3-dihydro-1H-inden-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705544
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705267
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126164081
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (CID 7705226) is N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(/C=N\OCC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is WVLVRHSAGQZLCC-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-3-6-14(7-4-12)10-19-22-11-17(21)20-15-8-5-13(2)16(18)9-15/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 316.79 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7705226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).