2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide

C16H17ClN2O3 — CID 4801250

IUPAC2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN2O3/c1-16(2,22-13-7-4-11(17)5-8-13)15(20)19-12-6-9-14(21-3)18-10-12/h4-10H,1-3H3,(H,19,20)
InChIKeyGQEMLAWOCPRXFY-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide (PubChem CID 4801250) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
PubChem CID4801250
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN2O3/c1-16(2,22-13-7-4-11(17)5-8-13)15(20)19-12-6-9-14(21-3)18-10-12/h4-10H,1-3H3,(H,19,20)
InChIKeyGQEMLAWOCPRXFY-UHFFFAOYSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide (CID 4801250) is 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
The InChIKey is GQEMLAWOCPRXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-16(2,22-13-7-4-11(17)5-8-13)15(20)19-12-6-9-14(21-3)18-10-12/h4-10H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide has a molecular weight of 320.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 4801250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).