N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide

C30H23F6NO3 — CID 140515148

IUPACN-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESCC(c1ccccc1)C(NC(=O)c1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C30H23F6NO3/c1-20(21-10-4-2-5-11-21)28(37-27(38)22-12-6-3-7-13-22,23-14-8-16-25(18-23)39-29(31,32)33)24-15-9-17-26(19-24)40-30(34,35)36/h2-20H,1H3,(H,37,38)
InChIKeyNQEQCDVZZSHHMJ-UHFFFAOYSA-N
MW559.51 g/mol
LogP7.96
Rot. Bonds8

About N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide

N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (PubChem CID 140515148) has the molecular formula C30H23F6NO3 and a molecular weight of 559.51 g/mol. Its IUPAC name is N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
PubChem CID140515148
Molecular FormulaC30H23F6NO3
Molecular Weight559.51 g/mol
Exact Mass559.16
IUPAC NameN-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESCC(c1ccccc1)C(NC(=O)c1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C30H23F6NO3/c1-20(21-10-4-2-5-11-21)28(37-27(38)22-12-6-3-7-13-22,23-14-8-16-25(18-23)39-29(31,32)33)24-15-9-17-26(19-24)40-30(34,35)36/h2-20H,1H3,(H,37,38)
InChIKeyNQEQCDVZZSHHMJ-UHFFFAOYSA-N
XLogP7.96
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 ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 140515174
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
N-[1-[2-methyl-3-(trifluoromethoxy)phenyl]-2-phenyl-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 140515186
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
methyl 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 107105204
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The IUPAC name of N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (CID 140515148) is N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.
What is the SMILES notation for N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The canonical SMILES for N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is CC(c1ccccc1)C(NC(=O)c1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The InChIKey is NQEQCDVZZSHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F6NO3/c1-20(21-10-4-2-5-11-21)28(37-27(38)22-12-6-3-7-13-22,23-14-8-16-25(18-23)39-29(31,32)33)24-15-9-17-26(19-24)40-30(34,35)36/h2-20H,1H3,(H,37,38).
What are the key properties of N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide has a molecular weight of 559.51 g/mol, XLogP of 7.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is sourced from PubChem (CID 140515148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).