2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide

C15H15ClN2O2 — CID 888389

IUPAC2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,20-13-7-5-11(16)6-8-13)14(19)18-12-4-3-9-17-10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyKFBNWPVAOVRPBP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide

2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide (PubChem CID 888389) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide
PubChem CID888389
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,20-13-7-5-11(16)6-8-13)14(19)18-12-4-3-9-17-10-12/h3-10H,1-2H3,(H,18,19)
InChIKeyKFBNWPVAOVRPBP-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide (CID 888389) is 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide?
The InChIKey is KFBNWPVAOVRPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(2,20-13-7-5-11(16)6-8-13)14(19)18-12-4-3-9-17-10-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide?
2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide has a molecular weight of 290.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).