(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride

C12H16ClF3N2O3 — CID 54757279

IUPAC(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)NCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O3.ClH/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)20-12(13,14)15;/h2-5,10H,6-7,16H2,1H3,(H,17,18);1H/t10-;/m1./s1
InChIKeyJBBLQRYDHARKKN-HNCPQSOCSA-N
MW328.72 g/mol
LogP1.60
Rot. Bonds6

About (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride

(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 54757279) has the molecular formula C12H16ClF3N2O3 and a molecular weight of 328.72 g/mol. Its IUPAC name is (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID54757279
Molecular FormulaC12H16ClF3N2O3
Molecular Weight328.72 g/mol
Exact Mass328.08
IUPAC Name(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCOC[C@@H](N)C(=O)NCc1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O3.ClH/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)20-12(13,14)15;/h2-5,10H,6-7,16H2,1H3,(H,17,18);1H/t10-;/m1./s1
InChIKeyJBBLQRYDHARKKN-HNCPQSOCSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride (CID 54757279) is (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride is COC[C@@H](N)C(=O)NCc1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is JBBLQRYDHARKKN-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15F3N2O3.ClH/c1-19-7-10(16)11(18)17-6-8-2-4-9(5-3-8)20-12(13,14)15;/h2-5,10H,6-7,16H2,1H3,(H,17,18);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 328.72 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 54757279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).