2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

C17H17ClN2O3 — CID 126254534

IUPAC2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N/O)cc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(21)10-23-16-6-4-13(9-19-22)8-15(16)18/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyFRLBFFRWGZLDCI-DJKKODMXSA-N
MW332.79 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 126254534) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID126254534
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N/O)cc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(21)10-23-16-6-4-13(9-19-22)8-15(16)18/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyFRLBFFRWGZLDCI-DJKKODMXSA-N
XLogP3.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161438
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126272531
2-[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126258921
2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126219736
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215405
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 110842433
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 126254534) is 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(/C=N/O)cc2Cl)cc1C.
What is the InChIKey of 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is FRLBFFRWGZLDCI-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(21)10-23-16-6-4-13(9-19-22)8-15(16)18/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+.
What are the key properties of 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126254534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).