2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C16H17F3N2O — CID 162170581

IUPAC2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1.Cc1ccccn1
InChIInChI=1S/C10H10F3NO.C6H7N/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-6-4-2-3-5-7-6/h2-5H,6H2,1H3,(H,14,15);2-5H,1H3
InChIKeyZNSQZWFRRDQGBV-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.73
Rot. Bonds2

About 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 162170581) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID162170581
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(F)(F)F)cc1.Cc1ccccn1
InChIInChI=1S/C10H10F3NO.C6H7N/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-6-4-2-3-5-7-6/h2-5H,6H2,1H3,(H,14,15);2-5H,1H3
InChIKeyZNSQZWFRRDQGBV-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 162170581) is 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(F)(F)F)cc1.Cc1ccccn1.
What is the InChIKey of 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ZNSQZWFRRDQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.C6H7N/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-6-4-2-3-5-7-6/h2-5H,6H2,1H3,(H,14,15);2-5H,1H3.
What are the key properties of 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 310.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162170581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).