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

C30H22ClF6NO3 — CID 89266060

IUPAC4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESO=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C30H22ClF6NO3/c31-24-14-12-21(13-15-24)27(39)38-19-28(18-20-6-2-1-3-7-20,22-8-4-10-25(16-22)40-29(32,33)34)23-9-5-11-26(17-23)41-30(35,36)37/h1-17H,18-19H2,(H,38,39)
InChIKeyPTKHCMIXVLDTPE-UHFFFAOYSA-N
MW593.95 g/mol
LogP8.10
Rot. Bonds9

About 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide

4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (PubChem CID 89266060) has the molecular formula C30H22ClF6NO3 and a molecular weight of 593.95 g/mol. Its IUPAC name is 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
PubChem CID89266060
Molecular FormulaC30H22ClF6NO3
Molecular Weight593.95 g/mol
Exact Mass593.12
IUPAC Name4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
SMILESO=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C30H22ClF6NO3/c31-24-14-12-21(13-15-24)27(39)38-19-28(18-20-6-2-1-3-7-20,22-8-4-10-25(16-22)40-29(32,33)34)23-9-5-11-26(17-23)41-30(35,36)37/h1-17H,18-19H2,(H,38,39)
InChIKeyPTKHCMIXVLDTPE-UHFFFAOYSA-N
XLogP8.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.95
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
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
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-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
2-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide;3-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide;3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide;4-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 157268260
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide (CID 89266060) is 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is O=C(NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
The InChIKey is PTKHCMIXVLDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClF6NO3/c31-24-14-12-21(13-15-24)27(39)38-19-28(18-20-6-2-1-3-7-20,22-8-4-10-25(16-22)40-29(32,33)34)23-9-5-11-26(17-23)41-30(35,36)37/h1-17H,18-19H2,(H,38,39).
What are the key properties of 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide?
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide has a molecular weight of 593.95 g/mol, XLogP of 8.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide is sourced from PubChem (CID 89266060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).