(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

C13H16ClF3N2O3 — CID 67153272

IUPAC(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H](N)Cc1cccc(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15ClN2O.C2HF3O2/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8;3-2(4,5)1(6)7/h3-6,10H,7,13H2,1-2H3;(H,6,7)/t10-;/m0./s1
InChIKeyREZOMVNAXOQORW-PPHPATTJSA-N
MW340.73 g/mol
LogP1.93
Rot. Bonds3

About (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 67153272) has the molecular formula C13H16ClF3N2O3 and a molecular weight of 340.73 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID67153272
Molecular FormulaC13H16ClF3N2O3
Molecular Weight340.73 g/mol
Exact Mass340.08
IUPAC Name(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H](N)Cc1cccc(Cl)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15ClN2O.C2HF3O2/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8;3-2(4,5)1(6)7/h3-6,10H,7,13H2,1-2H3;(H,6,7)/t10-;/m0./s1
InChIKeyREZOMVNAXOQORW-PPHPATTJSA-N
XLogP1.93
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (CID 67153272) is (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@@H](N)Cc1cccc(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is REZOMVNAXOQORW-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15ClN2O.C2HF3O2/c1-14(2)11(15)10(13)7-8-4-3-5-9(12)6-8;3-2(4,5)1(6)7/h3-6,10H,7,13H2,1-2H3;(H,6,7)/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 340.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-chlorophenyl)-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67153272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).