N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide

C29H20F7NO — CID 140515174

IUPACN-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)C(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20F7NO/c30-25(19-9-3-1-4-10-19)27(37-26(38)20-11-5-2-6-12-20,21-13-7-15-23(17-21)28(31,32)33)22-14-8-16-24(18-22)29(34,35)36/h1-18,25H,(H,37,38)
InChIKeyBAUMCPVYARFTKL-UHFFFAOYSA-N
MW531.47 g/mol
LogP8.11
Rot. Bonds6

About N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide

N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 140515174) has the molecular formula C29H20F7NO and a molecular weight of 531.47 g/mol. Its IUPAC name is N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID140515174
Molecular FormulaC29H20F7NO
Molecular Weight531.47 g/mol
Exact Mass531.14
IUPAC NameN-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)C(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20F7NO/c30-25(19-9-3-1-4-10-19)27(37-26(38)20-11-5-2-6-12-20,21-13-7-15-23(17-21)28(31,32)33)22-14-8-16-24(18-22)29(34,35)36/h1-18,25H,(H,37,38)
InChIKeyBAUMCPVYARFTKL-UHFFFAOYSA-N
XLogP8.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(1R,2R)-2-fluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[[3-(trifluoromethyl)benzoyl]amino]ethyl]phenyl]methyl carbamate
CID 142785700
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 140515148
N-[2-nitro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 140515165
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-(1,1,2-triphenylbut-3-enyl)benzamide
CID 175544491
N-[(1R,2R)-2-fluoro-1-(4-fluoro-3-propan-2-yloxyphenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]benzamide
CID 140633358
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431
4-nitro-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87152451
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 140515174) is N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)C(F)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is BAUMCPVYARFTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F7NO/c30-25(19-9-3-1-4-10-19)27(37-26(38)20-11-5-2-6-12-20,21-13-7-15-23(17-21)28(31,32)33)22-14-8-16-24(18-22)29(34,35)36/h1-18,25H,(H,37,38).
What are the key properties of N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide?
N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 531.47 g/mol, XLogP of 8.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 140515174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).