2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide

C16H13Cl3N2O2 — CID 6066776

IUPAC2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide
SMILESCO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2/c1-23-21-15(10-2-4-11(17)5-3-10)9-20-16(22)13-7-6-12(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,22)/b21-15-
InChIKeyLTBQJSHMSNTUKE-QNGOZBTKSA-N
MW371.65 g/mol
LogP4.43
Rot. Bonds5

About 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide

2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide (PubChem CID 6066776) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide
PubChem CID6066776
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide
SMILESCO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O2/c1-23-21-15(10-2-4-11(17)5-3-10)9-20-16(22)13-7-6-12(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,22)/b21-15-
InChIKeyLTBQJSHMSNTUKE-QNGOZBTKSA-N
XLogP4.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.43
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 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide (CID 6066776) is 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide is CO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide?
The InChIKey is LTBQJSHMSNTUKE-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-23-21-15(10-2-4-11(17)5-3-10)9-20-16(22)13-7-6-12(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,22)/b21-15-.
What are the key properties of 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide?
2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide has a molecular weight of 371.65 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2E)-2-(4-chlorophenyl)-2-methoxyiminoethyl]benzamide is sourced from PubChem (CID 6066776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).