N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide

C31H34F5NO — CID 143472236

IUPACN-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(Cc1ccccc1)(c1cccc(CC(C)(F)F)c1)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C31H34F5NO/c1-4-25(5-2)28(38)37-30(20-22-11-7-6-8-12-22,26-15-9-13-23(17-26)19-29(3,32)33)27-16-10-14-24(18-27)21-31(34,35)36/h6-18,25H,4-5,19-21H2,1-3H3,(H,37,38)
InChIKeyWVWJVVZOTYHFMP-UHFFFAOYSA-N
MW531.61 g/mol
LogP8.03
Rot. Bonds11

About N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide

N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide (PubChem CID 143472236) has the molecular formula C31H34F5NO and a molecular weight of 531.61 g/mol. Its IUPAC name is N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide
PubChem CID143472236
Molecular FormulaC31H34F5NO
Molecular Weight531.61 g/mol
Exact Mass531.26
IUPAC NameN-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(Cc1ccccc1)(c1cccc(CC(C)(F)F)c1)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C31H34F5NO/c1-4-25(5-2)28(38)37-30(20-22-11-7-6-8-12-22,26-15-9-13-23(17-26)19-29(3,32)33)27-16-10-14-24(18-27)21-31(34,35)36/h6-18,25H,4-5,19-21H2,1-3H3,(H,37,38)
InChIKeyWVWJVVZOTYHFMP-UHFFFAOYSA-N
XLogP8.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 59459518
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
3-methyl-3-[3-(2,2,2-trifluoroethyl)phenyl]butanoic acid
CID 117404449
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
CID 110168185
N-[1-[3-[difluoro(iodo)methyl]phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 162553639
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
2,3-difluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 59459335
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
3-methyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-2-carboxamide
CID 59459100

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide (CID 143472236) is N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(Cc1ccccc1)(c1cccc(CC(C)(F)F)c1)c1cccc(CC(F)(F)F)c1.
What is the InChIKey of N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide?
The InChIKey is WVWJVVZOTYHFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F5NO/c1-4-25(5-2)28(38)37-30(20-22-11-7-6-8-12-22,26-15-9-13-23(17-26)19-29(3,32)33)27-16-10-14-24(18-27)21-31(34,35)36/h6-18,25H,4-5,19-21H2,1-3H3,(H,37,38).
What are the key properties of N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide?
N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide has a molecular weight of 531.61 g/mol, XLogP of 8.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 143472236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).