N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C16H23F3N2O2 — CID 47020758

IUPACN-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C16H23F3N2O2/c1-11(2)6-4-7-12(3)20-14(22)10-21-9-5-8-13(15(21)23)16(17,18)19/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,20,22)
InChIKeyIBCDALPSGNHJLZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.20
Rot. Bonds7

About N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47020758) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47020758
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C16H23F3N2O2/c1-11(2)6-4-7-12(3)20-14(22)10-21-9-5-8-13(15(21)23)16(17,18)19/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,20,22)
InChIKeyIBCDALPSGNHJLZ-UHFFFAOYSA-N
XLogP3.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47020758) is N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is IBCDALPSGNHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(2)6-4-7-12(3)20-14(22)10-21-9-5-8-13(15(21)23)16(17,18)19/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H,20,22).
What are the key properties of N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47020758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).