2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide

C22H17ClN2O2 — CID 46554231

IUPAC2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C22H17ClN2O2/c1-16(27-21-10-5-7-18(23)15-21)22(26)25-20-9-4-6-17(14-20)11-12-19-8-2-3-13-24-19/h2-10,13-16H,1H3,(H,25,26)
InChIKeyCTHYRRQESKGLSQ-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide (PubChem CID 46554231) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
PubChem CID46554231
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C22H17ClN2O2/c1-16(27-21-10-5-7-18(23)15-21)22(26)25-20-9-4-6-17(14-20)11-12-19-8-2-3-13-24-19/h2-10,13-16H,1H3,(H,25,26)
InChIKeyCTHYRRQESKGLSQ-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide (CID 46554231) is 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C#Cc2ccccn2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide?
The InChIKey is CTHYRRQESKGLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-16(27-21-10-5-7-18(23)15-21)22(26)25-20-9-4-6-17(14-20)11-12-19-8-2-3-13-24-19/h2-10,13-16H,1H3,(H,25,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide has a molecular weight of 376.84 g/mol, XLogP of 4.54, 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-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide is sourced from PubChem (CID 46554231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).