3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide

C26H20F9NO3 — CID 24956819

IUPAC3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
SMILESO=C(CC(F)(F)F)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H20F9NO3/c27-24(28,29)15-22(37)36-16-23(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-25(30,31)32)19-9-5-11-21(13-19)39-26(33,34)35/h1-13H,14-16H2,(H,36,37)
InChIKeyZZAKDDZRRBJKOZ-UHFFFAOYSA-N
MW565.43 g/mol
LogP7.08
Rot. Bonds9

About 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide

3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide (PubChem CID 24956819) has the molecular formula C26H20F9NO3 and a molecular weight of 565.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
PubChem CID24956819
Molecular FormulaC26H20F9NO3
Molecular Weight565.43 g/mol
Exact Mass565.13
IUPAC Name3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
SMILESO=C(CC(F)(F)F)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H20F9NO3/c27-24(28,29)15-22(37)36-16-23(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-25(30,31)32)19-9-5-11-21(13-19)39-26(33,34)35/h1-13H,14-16H2,(H,36,37)
InChIKeyZZAKDDZRRBJKOZ-UHFFFAOYSA-N
XLogP7.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
4,4,4-trifluoro-3-hydroxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 24952899
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 59192843
1-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 89266013
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
but-3-enyl N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]carbamate
CID 59192919
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide (CID 24956819) is 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide is O=C(CC(F)(F)F)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
The InChIKey is ZZAKDDZRRBJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F9NO3/c27-24(28,29)15-22(37)36-16-23(14-17-6-2-1-3-7-17,18-8-4-10-20(12-18)38-25(30,31)32)19-9-5-11-21(13-19)39-26(33,34)35/h1-13H,14-16H2,(H,36,37).
What are the key properties of 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide?
3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide has a molecular weight of 565.43 g/mol, XLogP of 7.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide is sourced from PubChem (CID 24956819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).