3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide

C18H19ClN2O2 — CID 139885027

IUPAC3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide
SMILESCNC(=O)C(Cc1cc(-c2ccccc2Cl)ccc1C)=NOC
InChIInChI=1S/C18H19ClN2O2/c1-12-8-9-13(15-6-4-5-7-16(15)19)10-14(12)11-17(21-23-3)18(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyFPAASOWRKCZSRL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.61
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide

3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide (PubChem CID 139885027) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide
PubChem CID139885027
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide
SMILESCNC(=O)C(Cc1cc(-c2ccccc2Cl)ccc1C)=NOC
InChIInChI=1S/C18H19ClN2O2/c1-12-8-9-13(15-6-4-5-7-16(15)19)10-14(12)11-17(21-23-3)18(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyFPAASOWRKCZSRL-UHFFFAOYSA-N
XLogP3.61
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide (CID 139885027) is 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide is CNC(=O)C(Cc1cc(-c2ccccc2Cl)ccc1C)=NOC.
What is the InChIKey of 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide?
The InChIKey is FPAASOWRKCZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-8-9-13(15-6-4-5-7-16(15)19)10-14(12)11-17(21-23-3)18(22)20-2/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide?
3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide has a molecular weight of 330.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-2-methylphenyl]-2-methoxyimino-N-methylpropanamide is sourced from PubChem (CID 139885027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).