N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide

C20H11ClF5NO — CID 11418465

IUPACN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H11ClF5NO/c21-15-9-6-12(20(24,25)26)10-14(15)11-4-7-13(8-5-11)27-19(28)18-16(22)2-1-3-17(18)23/h1-10H,(H,27,28)
InChIKeyOHHIGBIGGBDEJY-UHFFFAOYSA-N
MW411.76 g/mol
LogP6.56
Rot. Bonds3

About N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide

N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide (PubChem CID 11418465) has the molecular formula C20H11ClF5NO and a molecular weight of 411.76 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide
PubChem CID11418465
Molecular FormulaC20H11ClF5NO
Molecular Weight411.76 g/mol
Exact Mass411.04
IUPAC NameN-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H11ClF5NO/c21-15-9-6-12(20(24,25)26)10-14(15)11-4-7-13(8-5-11)27-19(28)18-16(22)2-1-3-17(18)23/h1-10H,(H,27,28)
InChIKeyOHHIGBIGGBDEJY-UHFFFAOYSA-N
XLogP6.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-N-(2-naphthyl)-benzamide
CID 307425
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138544339
Benzamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-fluoro-
CID 99284
2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 285312
2-Chloro-2',4'-benzoxylidide
CID 295083
4-Chlorobenzanilide
CID 346669
4-chloro-N-(4-methylphenyl)benzamide
CID 346691
N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 850559
2-chloro-4,5-difluoro-N-naphthalen-2-ylbenzamide
CID 803729
2-chloro-6-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 775402
N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 2169782
N-{[1,1'-biphenyl]-2-yl}-3-(trifluoromethyl)benzamide
CID 2579836

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide (CID 11418465) is N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is OHHIGBIGGBDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF5NO/c21-15-9-6-12(20(24,25)26)10-14(15)11-4-7-13(8-5-11)27-19(28)18-16(22)2-1-3-17(18)23/h1-10H,(H,27,28).
What are the key properties of N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide?
N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide has a molecular weight of 411.76 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 11418465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).