(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride

C17H20ClF3N2O2 — CID 119301822

IUPAC(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
SMILESCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C17H19F3N2O2.ClH/c1-3-22(16(23)11(2)21)10-14-8-9-15(24-14)12-4-6-13(7-5-12)17(18,19)20;/h4-9,11H,3,10,21H2,1-2H3;1H/t11-;/m1./s1
InChIKeyMTEWNTMOFBUAHZ-RFVHGSKJSA-N
MW376.81 g/mol
LogP4.08
Rot. Bonds5

About (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride

(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride (PubChem CID 119301822) has the molecular formula C17H20ClF3N2O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
PubChem CID119301822
Molecular FormulaC17H20ClF3N2O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC Name(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
SMILESCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C17H19F3N2O2.ClH/c1-3-22(16(23)11(2)21)10-14-8-9-15(24-14)12-4-6-13(7-5-12)17(18,19)20;/h4-9,11H,3,10,21H2,1-2H3;1H/t11-;/m1./s1
InChIKeyMTEWNTMOFBUAHZ-RFVHGSKJSA-N
XLogP4.08
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide
CID 120987274
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 154324455
2-[[5-(4-tert-butylphenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 122035372
2-[methyl-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]amino]propanoic acid
CID 122036729
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
CID 174586618
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride (CID 119301822) is (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride is CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is MTEWNTMOFBUAHZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C17H19F3N2O2.ClH/c1-3-22(16(23)11(2)21)10-14-8-9-15(24-14)12-4-6-13(7-5-12)17(18,19)20;/h4-9,11H,3,10,21H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 376.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119301822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).