(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride

C11H14ClF3N2O — CID 119333857

IUPAC(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-7(15)10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,7H,6,15H2,1H3,(H,16,17);1H/t7-;/m0./s1
InChIKeyBXRZRAARVMKXAN-FJXQXJEOSA-N
MW282.69 g/mol
LogP2.50
Rot. Bonds3

About (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride (PubChem CID 119333857) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
PubChem CID119333857
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-7(15)10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,7H,6,15H2,1H3,(H,16,17);1H/t7-;/m0./s1
InChIKeyBXRZRAARVMKXAN-FJXQXJEOSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
CID 119801597
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
(2S)-2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide
CID 119327234

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride (CID 119333857) is (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride?
The InChIKey is BXRZRAARVMKXAN-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c1-7(15)10(17)16-9-4-2-3-8(5-9)6-11(12,13)14;/h2-5,7H,6,15H2,1H3,(H,16,17);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119333857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).