N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide

C15H15F3N2O2 — CID 141338552

IUPACN-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(=O)NC1(Cn2cc(C(F)(F)F)ccc2=O)C=CC=CC1
InChIInChI=1S/C15H15F3N2O2/c1-11(21)19-14(7-3-2-4-8-14)10-20-9-12(15(16,17)18)5-6-13(20)22/h2-7,9H,8,10H2,1H3,(H,19,21)
InChIKeyFRORLAYXXSPTHP-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.26
Rot. Bonds3

About N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide

N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 141338552) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID141338552
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide
SMILESCC(=O)NC1(Cn2cc(C(F)(F)F)ccc2=O)C=CC=CC1
InChIInChI=1S/C15H15F3N2O2/c1-11(21)19-14(7-3-2-4-8-14)10-20-9-12(15(16,17)18)5-6-13(20)22/h2-7,9H,8,10H2,1H3,(H,19,21)
InChIKeyFRORLAYXXSPTHP-UHFFFAOYSA-N
XLogP2.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide (CID 141338552) is N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide is CC(=O)NC1(Cn2cc(C(F)(F)F)ccc2=O)C=CC=CC1.
What is the InChIKey of N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is FRORLAYXXSPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-11(21)19-14(7-3-2-4-8-14)10-20-9-12(15(16,17)18)5-6-13(20)22/h2-7,9H,8,10H2,1H3,(H,19,21).
What are the key properties of N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide?
N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 312.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 141338552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).