2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride

C25H25ClF4N2O — CID 68727745

IUPAC2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2cccc(C(F)(F)F)c2F)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H24F4N2O.ClH/c1-16-11-12-20(15-17(16)2)31(24(32)23(30)19-7-4-3-5-8-19)14-13-18-9-6-10-21(22(18)26)25(27,28)29;/h3-12,15,23H,13-14,30H2,1-2H3;1H
InChIKeyRFEKHGFMIPQEMB-UHFFFAOYSA-N
MW480.93 g/mol
LogP6.16
Rot. Bonds6

About 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride

2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride (PubChem CID 68727745) has the molecular formula C25H25ClF4N2O and a molecular weight of 480.93 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
PubChem CID68727745
Molecular FormulaC25H25ClF4N2O
Molecular Weight480.93 g/mol
Exact Mass480.16
IUPAC Name2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
SMILESCc1ccc(N(CCc2cccc(C(F)(F)F)c2F)C(=O)C(N)c2ccccc2)cc1C.Cl
InChIInChI=1S/C25H24F4N2O.ClH/c1-16-11-12-20(15-17(16)2)31(24(32)23(30)19-7-4-3-5-8-19)14-13-18-9-6-10-21(22(18)26)25(27,28)29;/h3-12,15,23H,13-14,30H2,1-2H3;1H
InChIKeyRFEKHGFMIPQEMB-UHFFFAOYSA-N
XLogP6.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.93
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride (CID 68727745) is 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride is Cc1ccc(N(CCc2cccc(C(F)(F)F)c2F)C(=O)C(N)c2ccccc2)cc1C.Cl.
What is the InChIKey of 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is RFEKHGFMIPQEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O.ClH/c1-16-11-12-20(15-17(16)2)31(24(32)23(30)19-7-4-3-5-8-19)14-13-18-9-6-10-21(22(18)26)25(27,28)29;/h3-12,15,23H,13-14,30H2,1-2H3;1H.
What are the key properties of 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride?
2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 480.93 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 68727745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).