N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H21F3N2O2 — CID 84602640

IUPACN-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-2-21(13-6-4-3-5-7-13)15(23)11-20-10-12(16(17,18)19)8-9-14(20)22/h8-10,13H,2-7,11H2,1H3
InChIKeyNZHGCPPLGDMWKK-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.05
Rot. Bonds4

About N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 84602640) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID84602640
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CCCCC1
InChIInChI=1S/C16H21F3N2O2/c1-2-21(13-6-4-3-5-7-13)15(23)11-20-10-12(16(17,18)19)8-9-14(20)22/h8-10,13H,2-7,11H2,1H3
InChIKeyNZHGCPPLGDMWKK-UHFFFAOYSA-N
XLogP3.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 84602640) is N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NZHGCPPLGDMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-21(13-6-4-3-5-7-13)15(23)11-20-10-12(16(17,18)19)8-9-14(20)22/h8-10,13H,2-7,11H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 84602640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).