N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C23H20F4N2O2 — CID 47009485

IUPACN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1ccc(C(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H20F4N2O2/c1-2-15-6-8-16(9-7-15)22(17-4-3-5-19(24)12-17)28-20(30)14-29-13-18(23(25,26)27)10-11-21(29)31/h3-13,22H,2,14H2,1H3,(H,28,30)
InChIKeyCLPIONGSWZMWMB-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47009485) has the molecular formula C23H20F4N2O2 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47009485
Molecular FormulaC23H20F4N2O2
Molecular Weight432.42 g/mol
Exact Mass432.15
IUPAC NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCc1ccc(C(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H20F4N2O2/c1-2-15-6-8-16(9-7-15)22(17-4-3-5-19(24)12-17)28-20(30)14-29-13-18(23(25,26)27)10-11-21(29)31/h3-13,22H,2,14H2,1H3,(H,28,30)
InChIKeyCLPIONGSWZMWMB-UHFFFAOYSA-N
XLogP4.47
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55402687
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284669
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
CID 55483220
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284667
4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 158545251
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633574
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
1-ethyl-3-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]thiourea
CID 9098097
2-(3-ethylphenoxy)ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 8903016

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47009485) is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCc1ccc(C(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CLPIONGSWZMWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O2/c1-2-15-6-8-16(9-7-15)22(17-4-3-5-19(24)12-17)28-20(30)14-29-13-18(23(25,26)27)10-11-21(29)31/h3-13,22H,2,14H2,1H3,(H,28,30).
What are the key properties of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 432.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47009485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).