2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide

C27H25F6NO — CID 59459518

IUPAC2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H25F6NO/c1-24(2,3)23(35)34-25(17-18-9-5-4-6-10-18,19-11-7-13-21(15-19)26(28,29)30)20-12-8-14-22(16-20)27(31,32)33/h4-16H,17H2,1-3H3,(H,34,35)
InChIKeyHGRICYHVAUQTDC-UHFFFAOYSA-N
MW493.49 g/mol
LogP7.37
Rot. Bonds5

About 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide

2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 59459518) has the molecular formula C27H25F6NO and a molecular weight of 493.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID59459518
Molecular FormulaC27H25F6NO
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H25F6NO/c1-24(2,3)23(35)34-25(17-18-9-5-4-6-10-18,19-11-7-13-21(15-19)26(28,29)30)20-12-8-14-22(16-20)27(31,32)33/h4-16H,17H2,1-3H3,(H,34,35)
InChIKeyHGRICYHVAUQTDC-UHFFFAOYSA-N
XLogP7.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-[difluoro(iodo)methyl]phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 162553639
2,3-difluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 59459335
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 59458588
3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 59459100
2-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 58897891
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 59459002
4-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87152451
4-methyl-3-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 59458519
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
N-(2-methyl-1-phenylpropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758798
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide
CID 143472236

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 59459518) is 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(C)(C)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is HGRICYHVAUQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO/c1-24(2,3)23(35)34-25(17-18-9-5-4-6-10-18,19-11-7-13-21(15-19)26(28,29)30)20-12-8-14-22(16-20)27(31,32)33/h4-16H,17H2,1-3H3,(H,34,35).
What are the key properties of 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide?
2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 493.49 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 59459518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).