N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide

C23H24ClF3N2O2 — CID 11546944

IUPACN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CCCCC2)cccc1C(F)(F)F
InChIInChI=1S/C23H24ClF3N2O2/c1-14-17(8-5-9-19(14)23(25,26)27)22(31)29-20-11-10-16(24)12-18(20)21(30)28-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyHRCBMLULGQFKJJ-UHFFFAOYSA-N
MW452.90 g/mol
LogP6.23
Rot. Bonds5

About N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide

N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide (PubChem CID 11546944) has the molecular formula C23H24ClF3N2O2 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide
PubChem CID11546944
Molecular FormulaC23H24ClF3N2O2
Molecular Weight452.90 g/mol
Exact Mass452.15
IUPAC NameN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CCCCC2)cccc1C(F)(F)F
InChIInChI=1S/C23H24ClF3N2O2/c1-14-17(8-5-9-19(14)23(25,26)27)22(31)29-20-11-10-16(24)12-18(20)21(30)28-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyHRCBMLULGQFKJJ-UHFFFAOYSA-N
XLogP6.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.90
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide (CID 11546944) is N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide is Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)NCC2CCCCC2)cccc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is HRCBMLULGQFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O2/c1-14-17(8-5-9-19(14)23(25,26)27)22(31)29-20-11-10-16(24)12-18(20)21(30)28-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 452.90 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]-2-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11546944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).