N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide

C14H10ClN3O2 — CID 83074567

IUPACN-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H10ClN3O2/c1-9(19)17-11-4-2-3-5-12(11)20-14-7-10(8-16)6-13(15)18-14/h2-7H,1H3,(H,17,19)
InChIKeyRMAFWJRIXCTUOO-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.36
Rot. Bonds3

About N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide

N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 83074567) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID83074567
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H10ClN3O2/c1-9(19)17-11-4-2-3-5-12(11)20-14-7-10(8-16)6-13(15)18-14/h2-7H,1H3,(H,17,19)
InChIKeyRMAFWJRIXCTUOO-UHFFFAOYSA-N
XLogP3.36
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 62483341
N-[2-(2-amino-5-cyanophenoxy)phenyl]acetamide
CID 104712475
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
N-[2-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetamide
CID 83153581
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
CID 133063547
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]acetamide
CID 103241223
(2-acetamidophenyl) hypochlorite
CID 150463309

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide (CID 83074567) is N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide is CC(=O)Nc1ccccc1Oc1cc(C#N)cc(Cl)n1.
What is the InChIKey of N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is RMAFWJRIXCTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-9(19)17-11-4-2-3-5-12(11)20-14-7-10(8-16)6-13(15)18-14/h2-7H,1H3,(H,17,19).
What are the key properties of N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide?
N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 287.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 83074567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).