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

C12H16ClF3N2O — CID 119343988

IUPAC(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O.ClH/c1-8(16)11(18)17-10-5-3-2-4-9(10)6-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H/t8-;/m0./s1
InChIKeyWMJVJFBLZAHWRE-QRPNPIFTSA-N
MW296.72 g/mol
LogP2.89
Rot. Bonds4

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

(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride (PubChem CID 119343988) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
PubChem CID119343988
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F.Cl
InChIInChI=1S/C12H15F3N2O.ClH/c1-8(16)11(18)17-10-5-3-2-4-9(10)6-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H/t8-;/m0./s1
InChIKeyWMJVJFBLZAHWRE-QRPNPIFTSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
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CID 56832187
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
2-(aminomethyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119819440
2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584
2-(2,3-difluorophenyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 122143183
4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide
CID 167869776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride (CID 119343988) is (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride?
The InChIKey is WMJVJFBLZAHWRE-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H15F3N2O.ClH/c1-8(16)11(18)17-10-5-3-2-4-9(10)6-7-12(13,14)15;/h2-5,8H,6-7,16H2,1H3,(H,17,18);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119343988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).