2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide

C16H15F3N2O — CID 170943037

IUPAC2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O/c1-10(2)15(22)21-14-5-3-11(4-6-14)12-7-13(9-20-8-12)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyGHZQMQOQEKVHTE-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.36
Rot. Bonds3

About 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide

2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide (PubChem CID 170943037) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
PubChem CID170943037
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O/c1-10(2)15(22)21-14-5-3-11(4-6-14)12-7-13(9-20-8-12)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyGHZQMQOQEKVHTE-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 157497346
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
2-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]propanoic acid
CID 68761400
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 139503495
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide (CID 170943037) is 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide?
The InChIKey is GHZQMQOQEKVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-10(2)15(22)21-14-5-3-11(4-6-14)12-7-13(9-20-8-12)16(17,18)19/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide?
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide has a molecular weight of 308.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 170943037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).