N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide

C14H13ClN2O2 — CID 823681

IUPACN-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-10-4-6-11(7-5-10)19-9-13(18)17-12-3-2-8-16-14(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOBOIRPOCKBUHRP-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.06
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide

N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide (PubChem CID 823681) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
PubChem CID823681
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-10-4-6-11(7-5-10)19-9-13(18)17-12-3-2-8-16-14(12)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyOBOIRPOCKBUHRP-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-(4-aminophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 54915873
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2439640
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
N-(2-methoxy-3-pyridinyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55795022
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594596
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005
N-(3-chloro-2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 31507595
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide (CID 823681) is N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is OBOIRPOCKBUHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10-4-6-11(7-5-10)19-9-13(18)17-12-3-2-8-16-14(12)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide?
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).