2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide

C17H19ClN2O2 — CID 54787974

IUPAC2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)13-6-4-5-7-14(13)22-11-16(21)20-12-8-9-15(18)19-10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyJWUKSQXRXFECPY-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide

2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide (PubChem CID 54787974) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
PubChem CID54787974
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)13-6-4-5-7-14(13)22-11-16(21)20-12-8-9-15(18)19-10-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyJWUKSQXRXFECPY-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.05
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

N-(6-amino-3-pyridinyl)-2-(2-tert-butylphenoxy)acetamide;hydrochloride
CID 119515831
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
CID 154747632
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide (CID 54787974) is 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is JWUKSQXRXFECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2,3)13-6-4-5-7-14(13)22-11-16(21)20-12-8-9-15(18)19-10-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide?
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 54787974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).