N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide

C14H13ClN2O2 — CID 75846276

IUPACN-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c1-19-12(10-6-3-2-4-7-10)14(18)17-11-8-5-9-16-13(11)15/h2-9,12H,1H3,(H,17,18)
InChIKeyRBIJZGXACZOWNJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.06
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide

N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide (PubChem CID 75846276) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
PubChem CID75846276
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O2/c1-19-12(10-6-3-2-4-7-10)14(18)17-11-8-5-9-16-13(11)15/h2-9,12H,1H3,(H,17,18)
InChIKeyRBIJZGXACZOWNJ-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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Related Compounds

2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N-(6-chloro-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 115683268
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide
CID 95630343
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265751
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
CID 4803801
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
(2R)-2-methoxy-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylacetamide
CID 124616132

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide (CID 75846276) is N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide?
The InChIKey is RBIJZGXACZOWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-19-12(10-6-3-2-4-7-10)14(18)17-11-8-5-9-16-13(11)15/h2-9,12H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 75846276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).