N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide

C17H19ClN2O2 — CID 110442677

IUPACN-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)15-10-13(8-9-19-15)20-16(21)11-22-14-6-4-12(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyYIGDJQVSFKOOFC-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.05
Rot. Bonds4

About N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide

N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 110442677) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
PubChem CID110442677
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H19ClN2O2/c1-17(2,3)15-10-13(8-9-19-15)20-16(21)11-22-14-6-4-12(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyYIGDJQVSFKOOFC-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

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
N-(2-tert-butyl-4-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 110443287
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
N-(2-methyl-4-pyridinyl)-2-phenoxyacetamide
CID 110756814
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide (CID 110442677) is N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is YIGDJQVSFKOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2,3)15-10-13(8-9-19-15)20-16(21)11-22-14-6-4-12(18)5-7-14/h4-10H,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide?
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)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 N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 110442677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).