(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide

C17H17Cl2N3O2 — CID 138593531

IUPAC(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
SMILESCCO/N=C(\CCC(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-24-22-15(12-6-7-13(18)14(19)11-12)8-9-17(23)21-16-5-3-4-10-20-16/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,23)/b22-15+
InChIKeyQHHIWKRQKWYWIB-PXLXIMEGSA-N
MW366.25 g/mol
LogP4.55
Rot. Bonds7

About (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide

(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide (PubChem CID 138593531) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
PubChem CID138593531
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide
SMILESCCO/N=C(\CCC(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-2-24-22-15(12-6-7-13(18)14(19)11-12)8-9-17(23)21-16-5-3-4-10-20-16/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,23)/b22-15+
InChIKeyQHHIWKRQKWYWIB-PXLXIMEGSA-N
XLogP4.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide?
The IUPAC name of (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide (CID 138593531) is (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide.
What is the SMILES notation for (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide?
The canonical SMILES for (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide is CCO/N=C(\CCC(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide?
The InChIKey is QHHIWKRQKWYWIB-PXLXIMEGSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-2-24-22-15(12-6-7-13(18)14(19)11-12)8-9-17(23)21-16-5-3-4-10-20-16/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,23)/b22-15+.
What are the key properties of (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide?
(4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide has a molecular weight of 366.25 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(3,4-dichlorophenyl)-4-ethoxyimino-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 138593531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).