N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

C26H20ClF6NO2 — CID 18185372

IUPACN-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C26H20ClF6NO2/c1-24(2,16-11-17(25(28,29)30)13-18(12-16)26(31,32)33)23(36)34(3)21-14-19(27)9-10-20(21)22(35)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyBRPOAPMYAJQWAM-UHFFFAOYSA-N
MW527.89 g/mol
LogP7.55
Rot. Bonds5

About N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 18185372) has the molecular formula C26H20ClF6NO2 and a molecular weight of 527.89 g/mol. Its IUPAC name is N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
PubChem CID18185372
Molecular FormulaC26H20ClF6NO2
Molecular Weight527.89 g/mol
Exact Mass527.11
IUPAC NameN-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C26H20ClF6NO2/c1-24(2,16-11-17(25(28,29)30)13-18(12-16)26(31,32)33)23(36)34(3)21-14-19(27)9-10-20(21)22(35)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyBRPOAPMYAJQWAM-UHFFFAOYSA-N
XLogP7.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.89
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The IUPAC name of N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (CID 18185372) is N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
The InChIKey is BRPOAPMYAJQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF6NO2/c1-24(2,16-11-17(25(28,29)30)13-18(12-16)26(31,32)33)23(36)34(3)21-14-19(27)9-10-20(21)22(35)15-7-5-4-6-8-15/h4-14H,1-3H3.
What are the key properties of N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?
N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 527.89 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-chlorophenyl)-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 18185372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).