N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H25F3N2O — CID 34972442

IUPACN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N(C)C)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15-5-9-17(10-6-15)19(26(2)3)14-25-20(27)13-16-7-11-18(12-8-16)21(22,23)24/h5-12,19H,4,13-14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyBOKIFRIKFONPOA-IBGZPJMESA-N
MW378.44 g/mol
LogP4.23
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 34972442) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID34972442
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N(C)C)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15-5-9-17(10-6-15)19(26(2)3)14-25-20(27)13-16-7-11-18(12-8-16)21(22,23)24/h5-12,19H,4,13-14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyBOKIFRIKFONPOA-IBGZPJMESA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 112800287
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24640240
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 34972442) is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CCc1ccc([C@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BOKIFRIKFONPOA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-4-15-5-9-17(10-6-15)19(26(2)3)14-25-20(27)13-16-7-11-18(12-8-16)21(22,23)24/h5-12,19H,4,13-14H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 34972442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).