(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide

C17H16Cl2N2O2 — CID 87388083

IUPAC(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
SMILESCO/N=C(\CCC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-23-21-16(12-7-8-14(18)15(19)11-12)9-10-17(22)20-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)/b21-16+
InChIKeyAWTJSQFKNAUNLD-LTGZKZEYSA-N
MW351.23 g/mol
LogP4.76
Rot. Bonds6

About (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide

(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide (PubChem CID 87388083) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide.

Molecular Properties

Compound Name(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
PubChem CID87388083
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
SMILESCO/N=C(\CCC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-23-21-16(12-7-8-14(18)15(19)11-12)9-10-17(22)20-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)/b21-16+
InChIKeyAWTJSQFKNAUNLD-LTGZKZEYSA-N
XLogP4.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.76
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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Related Compounds

4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
CID 138593531
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
CID 44622472
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide?
The IUPAC name of (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide (CID 87388083) is (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide.
What is the SMILES notation for (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide?
The canonical SMILES for (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide is CO/N=C(\CCC(=O)Nc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide?
The InChIKey is AWTJSQFKNAUNLD-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-23-21-16(12-7-8-14(18)15(19)11-12)9-10-17(22)20-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,20,22)/b21-16+.
What are the key properties of (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide?
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide has a molecular weight of 351.23 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide is sourced from PubChem (CID 87388083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).