2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride

C18H20ClF3N2O — CID 120587065

IUPAC2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-12(13-7-6-10-15(11-13)18(19,20)21)23-16(24)17(2,22)14-8-4-3-5-9-14;/h3-12H,22H2,1-2H3,(H,23,24);1H
InChIKeyWZKPPKQZFCKULZ-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.18
Rot. Bonds4

About 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride

2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 120587065) has the molecular formula C18H20ClF3N2O and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
PubChem CID120587065
Molecular FormulaC18H20ClF3N2O
Molecular Weight372.82 g/mol
Exact Mass372.12
IUPAC Name2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-12(13-7-6-10-15(11-13)18(19,20)21)23-16(24)17(2,22)14-8-4-3-5-9-14;/h3-12H,22H2,1-2H3,(H,23,24);1H
InChIKeyWZKPPKQZFCKULZ-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
CID 120588639
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride (CID 120587065) is 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride is CC(NC(=O)C(C)(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is WZKPPKQZFCKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O.ClH/c1-12(13-7-6-10-15(11-13)18(19,20)21)23-16(24)17(2,22)14-8-4-3-5-9-14;/h3-12H,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).