N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C16H15F3N2O3 — CID 47092654

IUPACN-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCc1cc[nH]c(=O)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-11-1-3-13(4-2-11)15(23)21-8-12-5-6-20-14(22)7-12/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyUGLWQXLCMXKEBM-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.38
Rot. Bonds6

About N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 47092654) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID47092654
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCc1cc[nH]c(=O)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-11-1-3-13(4-2-11)15(23)21-8-12-5-6-20-14(22)7-12/h1-7H,8-10H2,(H,20,22)(H,21,23)
InChIKeyUGLWQXLCMXKEBM-UHFFFAOYSA-N
XLogP2.38
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 47092654) is N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NCc1cc[nH]c(=O)c1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is UGLWQXLCMXKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)10-24-9-11-1-3-13(4-2-11)15(23)21-8-12-5-6-20-14(22)7-12/h1-7H,8-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 340.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 47092654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).