(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride

C11H10ClF6NO — CID 20599034

IUPAC(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@@H](C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H9F6NO.ClH/c1-5(9(18)19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17;/h2-5H,1H3,(H2,18,19);1H/t5-;/m1./s1
InChIKeyMTWAOLQQLJIJOS-NUBCRITNSA-N
MW321.65 g/mol
LogP3.73
Rot. Bonds2

About (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride

(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 20599034) has the molecular formula C11H10ClF6NO and a molecular weight of 321.65 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID20599034
Molecular FormulaC11H10ClF6NO
Molecular Weight321.65 g/mol
Exact Mass321.04
IUPAC Name(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESC[C@@H](C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H9F6NO.ClH/c1-5(9(18)19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17;/h2-5H,1H3,(H2,18,19);1H/t5-;/m1./s1
InChIKeyMTWAOLQQLJIJOS-NUBCRITNSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 173252522
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]butanamide
CID 87395828
1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]propanamide
CID 87488611
[(2S)-1-amino-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 7796154
[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]acetic acid;hydrochloride
CID 87973193
[(1S,2S)-1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 87601818
methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-bromoacetate
CID 10384209
1,1,1,3,3,3-hexafluoropropan-2-yl 3-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-propan-2-ylpentanoate
CID 155471208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 20599034) is (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride is C[C@@H](C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is MTWAOLQQLJIJOS-NUBCRITNSA-N. The full InChI is InChI=1S/C11H9F6NO.ClH/c1-5(9(18)19)6-2-7(10(12,13)14)4-8(3-6)11(15,16)17;/h2-5H,1H3,(H2,18,19);1H/t5-;/m1./s1.
What are the key properties of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride?
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 321.65 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 20599034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).