2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide

C16H16F3N3O — CID 138020244

IUPAC2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C16H16F3N3O/c1-15(2,22-12-6-4-3-5-7-12)14(23)21-13-10-11(8-9-20-13)16(17,18)19/h3-10,22H,1-2H3,(H,20,21,23)
InChIKeyISYAEZMEKFTJHN-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.93
Rot. Bonds4

About 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide

2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 138020244) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID138020244
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C16H16F3N3O/c1-15(2,22-12-6-4-3-5-7-12)14(23)21-13-10-11(8-9-20-13)16(17,18)19/h3-10,22H,1-2H3,(H,20,21,23)
InChIKeyISYAEZMEKFTJHN-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
3-[methyl-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]propanoic acid
CID 122089428
2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
CID 15156839
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide (CID 138020244) is 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is ISYAEZMEKFTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-15(2,22-12-6-4-3-5-7-12)14(23)21-13-10-11(8-9-20-13)16(17,18)19/h3-10,22H,1-2H3,(H,20,21,23).
What are the key properties of 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 323.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 138020244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).