2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C21H23F3N2O — CID 55543140

IUPAC2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2ccccc21)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O/c1-26(13-16-8-3-5-11-18(16)21(22,23)24)14-20(27)25-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,25,27)
InChIKeyIEDQMGHFVLGBRQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.33
Rot. Bonds5

About 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 55543140) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID55543140
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2ccccc21)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O/c1-26(13-16-8-3-5-11-18(16)21(22,23)24)14-20(27)25-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,25,27)
InChIKeyIEDQMGHFVLGBRQ-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8551194
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9103538
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2523881
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 98750995
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 55543140) is 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(CC(=O)NC1CCCc2ccccc21)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is IEDQMGHFVLGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-26(13-16-8-3-5-11-18(16)21(22,23)24)14-20(27)25-19-12-6-9-15-7-2-4-10-17(15)19/h2-5,7-8,10-11,19H,6,9,12-14H2,1H3,(H,25,27).
What are the key properties of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 55543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).