3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide

C13H16ClF3N2O2 — CID 3745094

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O2/c1-21-6-2-5-18-12(20)4-3-11-10(14)7-9(8-19-11)13(15,16)17/h7-8H,2-6H2,1H3,(H,18,20)
InChIKeyMAQDAOLYPDYJSP-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.84
Rot. Bonds7

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide (PubChem CID 3745094) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide
PubChem CID3745094
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O2/c1-21-6-2-5-18-12(20)4-3-11-10(14)7-9(8-19-11)13(15,16)17/h7-8H,2-6H2,1H3,(H,18,20)
InChIKeyMAQDAOLYPDYJSP-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide (CID 3745094) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide?
The InChIKey is MAQDAOLYPDYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-21-6-2-5-18-12(20)4-3-11-10(14)7-9(8-19-11)13(15,16)17/h7-8H,2-6H2,1H3,(H,18,20).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide has a molecular weight of 324.73 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 3745094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).