N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide

C18H17F3N2O2 — CID 177119035

IUPACN-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)C(C)C
InChIInChI=1S/C18H17F3N2O2/c1-10(2)17(25)16-15(23-11(3)24)8-13(9-22-16)12-5-4-6-14(7-12)18(19,20)21/h4-10H,1-3H3,(H,23,24)
InChIKeyHETWRDNGDIXADD-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide

N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide (PubChem CID 177119035) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
PubChem CID177119035
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)C(C)C
InChIInChI=1S/C18H17F3N2O2/c1-10(2)17(25)16-15(23-11(3)24)8-13(9-22-16)12-5-4-6-14(7-12)18(19,20)21/h4-10H,1-3H3,(H,23,24)
InChIKeyHETWRDNGDIXADD-UHFFFAOYSA-N
XLogP4.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-[3-(1,1-difluoroethyl)phenyl]-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
CID 177118835
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681
N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide
CID 176581624
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176580025
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953
3-ethyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde;1-[3-ethyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanone;bis(sulfur dioxide)
CID 162102206
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
2-[[3-hydroxy-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]amino]-N-methylacetamide
CID 68660883
N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 122476023
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide (CID 177119035) is N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)cnc1C(=O)C(C)C.
What is the InChIKey of N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide?
The InChIKey is HETWRDNGDIXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-10(2)17(25)16-15(23-11(3)24)8-13(9-22-16)12-5-4-6-14(7-12)18(19,20)21/h4-10H,1-3H3,(H,23,24).
What are the key properties of N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide?
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 177119035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).