(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

C15H12Cl2N2O3 — CID 70692248

IUPAC(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15-13(17)7-11(8-18-15)10-3-2-9(12(16)6-10)4-5-14(20)19-21/h2-8,21H,1H3,(H,19,20)/b5-4+
InChIKeyGIDDCXXYFMKRQG-SNAWJCMRSA-N
MW339.18 g/mol
LogP3.58
Rot. Bonds4

About (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70692248) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70692248
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15-13(17)7-11(8-18-15)10-3-2-9(12(16)6-10)4-5-14(20)19-21/h2-8,21H,1H3,(H,19,20)/b5-4+
InChIKeyGIDDCXXYFMKRQG-SNAWJCMRSA-N
XLogP3.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (CID 70692248) is (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is COc1ncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)cc1Cl.
What is the InChIKey of (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GIDDCXXYFMKRQG-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-15-13(17)7-11(8-18-15)10-3-2-9(12(16)6-10)4-5-14(20)19-21/h2-8,21H,1H3,(H,19,20)/b5-4+.
What are the key properties of (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 339.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70692248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).