3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide

C20H22F3N3O2 — CID 139969083

IUPAC3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)NC(C)C)c1NC(=O)Cc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C20H22F3N3O2/c1-11(2)24-19(28)15-7-5-6-12(3)18(15)26-17(27)10-14-8-9-16(20(21,22)23)25-13(14)4/h5-9,11H,10H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyANQMIEWENBYJIW-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.04
Rot. Bonds5

About 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide

3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 139969083) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID139969083
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)NC(C)C)c1NC(=O)Cc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C20H22F3N3O2/c1-11(2)24-19(28)15-7-5-6-12(3)18(15)26-17(27)10-14-8-9-16(20(21,22)23)25-13(14)4/h5-9,11H,10H2,1-4H3,(H,24,28)(H,26,27)
InChIKeyANQMIEWENBYJIW-UHFFFAOYSA-N
XLogP4.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120506183
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
N-propan-2-yl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 36991749
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
3-methyl-N-(1-methylsulfonylethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 70130011
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
N-propan-2-yl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]methyl]benzamide
CID 167878540
N-(1-amino-4-methylpentan-2-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119585454
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-[(2-methylphenyl)methylamino]-N-[(E,2S)-4-methylsulfonylbut-3-en-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176931199
N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119438731
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875124

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide (CID 139969083) is 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide is Cc1cccc(C(=O)NC(C)C)c1NC(=O)Cc1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ANQMIEWENBYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-11(2)24-19(28)15-7-5-6-12(3)18(15)26-17(27)10-14-8-9-16(20(21,22)23)25-13(14)4/h5-9,11H,10H2,1-4H3,(H,24,28)(H,26,27).
What are the key properties of 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide?
3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 393.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 139969083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).