2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide

C14H12ClFN2O2 — CID 104820692

IUPAC2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C14H12ClFN2O2/c1-9(20-11-5-2-4-10(15)8-11)14(19)18-13-7-3-6-12(16)17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyQCXBHKWZKQUCTD-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.28
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide

2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide (PubChem CID 104820692) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
PubChem CID104820692
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C14H12ClFN2O2/c1-9(20-11-5-2-4-10(15)8-11)14(19)18-13-7-3-6-12(16)17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyQCXBHKWZKQUCTD-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820485
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 47935073
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide (CID 104820692) is 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)n1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
The InChIKey is QCXBHKWZKQUCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-9(20-11-5-2-4-10(15)8-11)14(19)18-13-7-3-6-12(16)17-13/h2-9H,1H3,(H,17,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide?
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide has a molecular weight of 294.71 g/mol, XLogP of 3.28, 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-(6-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 104820692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).