(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid

C12H12F6N2O3 — CID 175830853

IUPAC(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O.C2HF3O2/c1-15-9(16)8(14)6-3-2-4-7(5-6)10(11,12)13;3-2(4,5)1(6)7/h2-5,8H,14H2,1H3,(H,15,16);(H,6,7)/t8-;/m1./s1
InChIKeyYEVBAPGUPKEILI-DDWIOCJRSA-N
MW346.23 g/mol
LogP2.08
Rot. Bonds2

About (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid

(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 175830853) has the molecular formula C12H12F6N2O3 and a molecular weight of 346.23 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID175830853
Molecular FormulaC12H12F6N2O3
Molecular Weight346.23 g/mol
Exact Mass346.08
IUPAC Name(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O.C2HF3O2/c1-15-9(16)8(14)6-3-2-4-7(5-6)10(11,12)13;3-2(4,5)1(6)7/h2-5,8H,14H2,1H3,(H,15,16);(H,6,7)/t8-;/m1./s1
InChIKeyYEVBAPGUPKEILI-DDWIOCJRSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 175830853) is (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is YEVBAPGUPKEILI-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H11F3N2O.C2HF3O2/c1-15-9(16)8(14)6-3-2-4-7(5-6)10(11,12)13;3-2(4,5)1(6)7/h2-5,8H,14H2,1H3,(H,15,16);(H,6,7)/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid?
(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 346.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175830853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).