3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide

C20H18Cl4N2O3 — CID 59948072

IUPAC3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
SMILESCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl4N2O3/c1-26(20(28)13-7-14(21)10-15(22)8-13)11-19(25-29-2)16(5-6-27)12-3-4-17(23)18(24)9-12/h3-4,6-10,16H,5,11H2,1-2H3/b25-19+
InChIKeyAMSYEIHPTWJTRT-NCELDCMTSA-N
MW476.19 g/mol
LogP5.75
Rot. Bonds8

About 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide

3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide (PubChem CID 59948072) has the molecular formula C20H18Cl4N2O3 and a molecular weight of 476.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
PubChem CID59948072
Molecular FormulaC20H18Cl4N2O3
Molecular Weight476.19 g/mol
Exact Mass474.01
IUPAC Name3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
SMILESCO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CC=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H18Cl4N2O3/c1-26(20(28)13-7-14(21)10-15(22)8-13)11-19(25-29-2)16(5-6-27)12-3-4-17(23)18(24)9-12/h3-4,6-10,16H,5,11H2,1-2H3/b25-19+
InChIKeyAMSYEIHPTWJTRT-NCELDCMTSA-N
XLogP5.75
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.19
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide (CID 59948072) is 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide is CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CC=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide?
The InChIKey is AMSYEIHPTWJTRT-NCELDCMTSA-N. The full InChI is InChI=1S/C20H18Cl4N2O3/c1-26(20(28)13-7-14(21)10-15(22)8-13)11-19(25-29-2)16(5-6-27)12-3-4-17(23)18(24)9-12/h3-4,6-10,16H,5,11H2,1-2H3/b25-19+.
What are the key properties of 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide?
3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide has a molecular weight of 476.19 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide is sourced from PubChem (CID 59948072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).