(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride

C18H20ClF3N2O2 — CID 119288372

IUPAC(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-8-6-13(7-9-15)10-11-23-17(24)16(22)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,22H2,(H,23,24);1H/t16-;/m0./s1
InChIKeyGRPYGXQXIVUPBM-NTISSMGPSA-N
MW388.82 g/mol
LogP3.24
Rot. Bonds7

About (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119288372) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119288372
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-8-6-13(7-9-15)10-11-23-17(24)16(22)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,22H2,(H,23,24);1H/t16-;/m0./s1
InChIKeyGRPYGXQXIVUPBM-NTISSMGPSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
chloro (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 142758189
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride (CID 119288372) is (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is GRPYGXQXIVUPBM-NTISSMGPSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-8-6-13(7-9-15)10-11-23-17(24)16(22)12-14-4-2-1-3-5-14;/h1-9,16H,10-12,22H2,(H,23,24);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119288372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).