N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide

C17H18F3N3O2 — CID 133489266

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ccc(OC(F)(F)F)cn2)c1C
InChIInChI=1S/C17H18F3N3O2/c1-11-5-4-6-14(12(11)2)22-16(24)10-23(3)15-8-7-13(9-21-15)25-17(18,19)20/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyBPPFJAFHPYRWMV-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.67
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide (PubChem CID 133489266) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide
PubChem CID133489266
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2ccc(OC(F)(F)F)cn2)c1C
InChIInChI=1S/C17H18F3N3O2/c1-11-5-4-6-14(12(11)2)22-16(24)10-23(3)15-8-7-13(9-21-15)25-17(18,19)20/h4-9H,10H2,1-3H3,(H,22,24)
InChIKeyBPPFJAFHPYRWMV-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8781642
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
CID 55515904
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 40694690
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820404
N-(2,3-dimethylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115637950

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide (CID 133489266) is N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)c2ccc(OC(F)(F)F)cn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide?
The InChIKey is BPPFJAFHPYRWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-5-4-6-14(12(11)2)22-16(24)10-23(3)15-8-7-13(9-21-15)25-17(18,19)20/h4-9H,10H2,1-3H3,(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 133489266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).