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

C14H13ClN2O2 — CID 3156026

IUPAC2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyNYJHVTCNAGRGLU-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.14
Rot. Bonds4

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

2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide (PubChem CID 3156026) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide
PubChem CID3156026
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12/h2-10H,1H3,(H,16,17,18)
InChIKeyNYJHVTCNAGRGLU-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide (CID 3156026) is 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccncc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide?
The InChIKey is NYJHVTCNAGRGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-10(19-13-4-2-3-11(15)9-13)14(18)17-12-5-7-16-8-6-12/h2-10H,1H3,(H,16,17,18).
What are the key properties of 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide?
2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide has a molecular weight of 276.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 3156026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).