N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide

C14H13ClN2O2 — CID 115683268

IUPACN-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cccc(Cl)n1)c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c1-19-13(10-6-3-2-4-7-10)14(18)17-12-9-5-8-11(15)16-12/h2-9,13H,1H3,(H,16,17,18)
InChIKeyNRTZLTPWJVVEDG-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.06
Rot. Bonds4

About N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide

N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide (PubChem CID 115683268) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
PubChem CID115683268
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cccc(Cl)n1)c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c1-19-13(10-6-3-2-4-7-10)14(18)17-12-9-5-8-11(15)16-12/h2-9,13H,1H3,(H,16,17,18)
InChIKeyNRTZLTPWJVVEDG-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide (CID 115683268) is N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1cccc(Cl)n1)c1ccccc1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The InChIKey is NRTZLTPWJVVEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-13(10-6-3-2-4-7-10)14(18)17-12-9-5-8-11(15)16-12/h2-9,13H,1H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide?
N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide has a molecular weight of 276.72 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 115683268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).