3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide

C31H24F7NO3 — CID 59192902

IUPAC3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C31H24F7NO3/c1-20-13-22(15-25(32)14-20)28(40)39-19-29(18-21-7-3-2-4-8-21,23-9-5-11-26(16-23)41-30(33,34)35)24-10-6-12-27(17-24)42-31(36,37)38/h2-17H,18-19H2,1H3,(H,39,40)
InChIKeyUGXDMPICWBYJCV-UHFFFAOYSA-N
MW591.52 g/mol
LogP7.89
Rot. Bonds9

About 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide

3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (PubChem CID 59192902) has the molecular formula C31H24F7NO3 and a molecular weight of 591.52 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
PubChem CID59192902
Molecular FormulaC31H24F7NO3
Molecular Weight591.52 g/mol
Exact Mass591.16
IUPAC Name3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C31H24F7NO3/c1-20-13-22(15-25(32)14-20)28(40)39-19-29(18-21-7-3-2-4-8-21,23-9-5-11-26(16-23)41-30(33,34)35)24-10-6-12-27(17-24)42-31(36,37)38/h2-17H,18-19H2,1H3,(H,39,40)
InChIKeyUGXDMPICWBYJCV-UHFFFAOYSA-N
XLogP7.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.52
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939
3,3,3-trifluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 24956819
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 59192843
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
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-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 72539559

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (CID 59192902) is 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is Cc1cc(F)cc(C(=O)NCC(Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The InChIKey is UGXDMPICWBYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F7NO3/c1-20-13-22(15-25(32)14-20)28(40)39-19-29(18-21-7-3-2-4-8-21,23-9-5-11-26(16-23)41-30(33,34)35)24-10-6-12-27(17-24)42-31(36,37)38/h2-17H,18-19H2,1H3,(H,39,40).
What are the key properties of 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide has a molecular weight of 591.52 g/mol, XLogP of 7.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is sourced from PubChem (CID 59192902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).