(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide

C12H14Cl2N2O2 — CID 44622703

IUPAC(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide
SMILESCO/N=C(/CCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H2,15,17)/b16-11-
InChIKeyLOEJHCRHLMBFLS-WJDWOHSUSA-N
MW289.16 g/mol
LogP3.00
Rot. Bonds6

About (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide

(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide (PubChem CID 44622703) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide.

Molecular Properties

Compound Name(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide
PubChem CID44622703
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide
SMILESCO/N=C(/CCCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H2,15,17)/b16-11-
InChIKeyLOEJHCRHLMBFLS-WJDWOHSUSA-N
XLogP3.00
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.00
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 (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide?
The IUPAC name of (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide (CID 44622703) is (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide.
What is the SMILES notation for (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide?
The canonical SMILES for (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide is CO/N=C(/CCCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide?
The InChIKey is LOEJHCRHLMBFLS-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-18-16-11(3-2-4-12(15)17)8-5-6-9(13)10(14)7-8/h5-7H,2-4H2,1H3,(H2,15,17)/b16-11-.
What are the key properties of (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide?
(5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide has a molecular weight of 289.16 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3,4-dichlorophenyl)-5-methoxyiminopentanamide is sourced from PubChem (CID 44622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).