2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C25H24F4N2O3 — CID 25181697

IUPAC2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2cccc(F)c2)cc1OC
InChIInChI=1S/C25H24F4N2O3/c1-33-21-11-10-20(15-22(21)34-2)31(24(32)23(30)17-4-3-5-19(26)14-17)13-12-16-6-8-18(9-7-16)25(27,28)29/h3-11,14-15,23H,12-13,30H2,1-2H3
InChIKeyOYDCAKPACVIACZ-UHFFFAOYSA-N
MW476.47 g/mol
LogP5.14
Rot. Bonds8

About 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 25181697) has the molecular formula C25H24F4N2O3 and a molecular weight of 476.47 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID25181697
Molecular FormulaC25H24F4N2O3
Molecular Weight476.47 g/mol
Exact Mass476.17
IUPAC Name2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2cccc(F)c2)cc1OC
InChIInChI=1S/C25H24F4N2O3/c1-33-21-11-10-20(15-22(21)34-2)31(24(32)23(30)17-4-3-5-19(26)14-17)13-12-16-6-8-18(9-7-16)25(27,28)29/h3-11,14-15,23H,12-13,30H2,1-2H3
InChIKeyOYDCAKPACVIACZ-UHFFFAOYSA-N
XLogP5.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158682423
2-amino-N-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183549
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-(methylamino)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68728602
3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-N,N-diethyl-2-phenylbut-3-enamide
CID 70298408
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
2-amino-2-(2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007603
N-(3,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methyl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide;3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-3-oxo-2-phenylpropanoic acid
CID 158942975
N-(3,4-dimethoxyphenyl)-2-phenyl-N'-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 25011804
(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 68725094
(2S)-N-(3,4-dimethoxyphenyl)-2-methoxy-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;3,4-dimethoxy-N-[2-[4-(10,10,10-trifluorodecyl)phenyl]ethyl]aniline
CID 162143669
2-amino-N-(2-methoxy-3-pyridinyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007568
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 25181697) is 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is COc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N)c2cccc(F)c2)cc1OC.
What is the InChIKey of 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is OYDCAKPACVIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N2O3/c1-33-21-11-10-20(15-22(21)34-2)31(24(32)23(30)17-4-3-5-19(26)14-17)13-12-16-6-8-18(9-7-16)25(27,28)29/h3-11,14-15,23H,12-13,30H2,1-2H3.
What are the key properties of 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 476.47 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 25181697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).