2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

C18H20ClF3N2O — CID 120666705

IUPAC2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-11-6-8-13(9-7-11)16(22)17(24)23-12(2)14-4-3-5-15(10-14)18(19,20)21;/h3-10,12,16H,22H2,1-2H3,(H,23,24);1H
InChIKeyDCVDMDHXDKFPJW-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.31
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 120666705) has the molecular formula C18H20ClF3N2O and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID120666705
Molecular FormulaC18H20ClF3N2O
Molecular Weight372.82 g/mol
Exact Mass372.12
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-11-6-8-13(9-7-11)16(22)17(24)23-12(2)14-4-3-5-15(10-14)18(19,20)21;/h3-10,12,16H,22H2,1-2H3,(H,23,24);1H
InChIKeyDCVDMDHXDKFPJW-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119320621
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-2-(4-methylphenyl)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 120667536
2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24609966

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (CID 120666705) is 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is DCVDMDHXDKFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O.ClH/c1-11-6-8-13(9-7-11)16(22)17(24)23-12(2)14-4-3-5-15(10-14)18(19,20)21;/h3-10,12,16H,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).