N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide

C18H16F4N2O2 — CID 158051254

IUPACN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)ccn1
InChIInChI=1S/C18H16F4N2O2/c1-10(25)7-14-8-12(5-6-23-14)17(26)24-11(2)15-9-13(18(20,21)22)3-4-16(15)19/h3-6,8-9,11H,7H2,1-2H3,(H,24,26)
InChIKeyFJMXUBIQFWUHJJ-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.86
Rot. Bonds5

About N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 158051254) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
PubChem CID158051254
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)ccn1
InChIInChI=1S/C18H16F4N2O2/c1-10(25)7-14-8-12(5-6-23-14)17(26)24-11(2)15-9-13(18(20,21)22)3-4-16(15)19/h3-6,8-9,11H,7H2,1-2H3,(H,24,26)
InChIKeyFJMXUBIQFWUHJJ-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158217670
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 146716025
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 158844904
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 149045512
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
CID 159254658
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
2-(2-oxopropyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 162150154
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(2-methylpropanimidoyl)pyridine-4-carboxamide
CID 175016988

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide (CID 158051254) is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)ccn1.
What is the InChIKey of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide?
The InChIKey is FJMXUBIQFWUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-10(25)7-14-8-12(5-6-23-14)17(26)24-11(2)15-9-13(18(20,21)22)3-4-16(15)19/h3-6,8-9,11H,7H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide?
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 368.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 158051254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).