N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H24F3N3O — CID 56538872

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(C(CNC(=O)CNc2cccc(C(F)(F)F)c2)N(C)C)cc1
InChIInChI=1S/C20H24F3N3O/c1-14-7-9-15(10-8-14)18(26(2)3)12-25-19(27)13-24-17-6-4-5-16(11-17)20(21,22)23/h4-11,18,24H,12-13H2,1-3H3,(H,25,27)
InChIKeyFDRSUPPRQUFGRW-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.84
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56538872) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56538872
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(C(CNC(=O)CNc2cccc(C(F)(F)F)c2)N(C)C)cc1
InChIInChI=1S/C20H24F3N3O/c1-14-7-9-15(10-8-14)18(26(2)3)12-25-19(27)13-24-17-6-4-5-16(11-17)20(21,22)23/h4-11,18,24H,12-13H2,1-3H3,(H,25,27)
InChIKeyFDRSUPPRQUFGRW-UHFFFAOYSA-N
XLogP3.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546273
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552750
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56538872) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide is Cc1ccc(C(CNC(=O)CNc2cccc(C(F)(F)F)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is FDRSUPPRQUFGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14-7-9-15(10-8-14)18(26(2)3)12-25-19(27)13-24-17-6-4-5-16(11-17)20(21,22)23/h4-11,18,24H,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 379.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).