N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide

C30H23F6NO3 — CID 140515186

IUPACN-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCc1c(OC(F)(F)F)cccc1C(Cc1ccccc1)(NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C30H23F6NO3/c1-20-25(16-9-17-26(20)40-30(34,35)36)28(19-21-10-4-2-5-11-21,37-27(38)22-12-6-3-7-13-22)23-14-8-15-24(18-23)39-29(31,32)33/h2-18H,19H2,1H3,(H,37,38)
InChIKeyFIKMJOXYNSIMDK-UHFFFAOYSA-N
MW559.51 g/mol
LogP7.71
Rot. Bonds8

About N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide

N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 140515186) has the molecular formula C30H23F6NO3 and a molecular weight of 559.51 g/mol. Its IUPAC name is N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID140515186
Molecular FormulaC30H23F6NO3
Molecular Weight559.51 g/mol
Exact Mass559.16
IUPAC NameN-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCc1c(OC(F)(F)F)cccc1C(Cc1ccccc1)(NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C30H23F6NO3/c1-20-25(16-9-17-26(20)40-30(34,35)36)28(19-21-10-4-2-5-11-21,37-27(38)22-12-6-3-7-13-22)23-14-8-15-24(18-23)39-29(31,32)33/h2-18H,19H2,1H3,(H,37,38)
InChIKeyFIKMJOXYNSIMDK-UHFFFAOYSA-N
XLogP7.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.51
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 59458504
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 123311618
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000
methyl 4-[2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2,2-bis[3-(trifluoromethoxy)phenyl]ethyl]benzoate
CID 59459401
N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 140515148
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
1-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 89266013
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
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
methyl (2S,4R)-4-methyl-1-[[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 59541248

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 140515186) is N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide is Cc1c(OC(F)(F)F)cccc1C(Cc1ccccc1)(NC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is FIKMJOXYNSIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F6NO3/c1-20-25(16-9-17-26(20)40-30(34,35)36)28(19-21-10-4-2-5-11-21,37-27(38)22-12-6-3-7-13-22)23-14-8-15-24(18-23)39-29(31,32)33/h2-18H,19H2,1H3,(H,37,38).
What are the key properties of N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide?
N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 559.51 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 140515186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).