N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H21F3N2O2 — CID 47009845

IUPACN-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H21F3N2O2/c1-3-4-5-6-11(2)19-13(21)10-20-9-12(15(16,17)18)7-8-14(20)22/h7-9,11H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyVABABHSKSYHVSG-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.95
Rot. Bonds7

About N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47009845) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47009845
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H21F3N2O2/c1-3-4-5-6-11(2)19-13(21)10-20-9-12(15(16,17)18)7-8-14(20)22/h7-9,11H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyVABABHSKSYHVSG-UHFFFAOYSA-N
XLogP2.95
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.95
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 N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47009845) is N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is VABABHSKSYHVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-3-4-5-6-11(2)19-13(21)10-20-9-12(15(16,17)18)7-8-14(20)22/h7-9,11H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).