2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide

C21H13F5N2O2 — CID 134122808

IUPAC2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H13F5N2O2/c22-16-2-1-3-17(23)18(16)19(29)28-20(30)27-15-10-6-13(7-11-15)12-4-8-14(9-5-12)21(24,25)26/h1-11H,(H2,27,28,29,30)
InChIKeyUAQNNPMESFSIQE-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.61
Rot. Bonds3

About 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide (PubChem CID 134122808) has the molecular formula C21H13F5N2O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
PubChem CID134122808
Molecular FormulaC21H13F5N2O2
Molecular Weight420.34 g/mol
Exact Mass420.09
IUPAC Name2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H13F5N2O2/c22-16-2-1-3-17(23)18(16)19(29)28-20(30)27-15-10-6-13(7-11-15)12-4-8-14(9-5-12)21(24,25)26/h1-11H,(H2,27,28,29,30)
InChIKeyUAQNNPMESFSIQE-UHFFFAOYSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
2,6-difluoro-N-[[4-[1-[3-(trifluoromethyl)phenyl]ethylsulfanyl]phenyl]carbamoyl]benzamide
CID 20524383
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[[4-(difluoromethoxy)-3-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134088408
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide
CID 53244085
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
[4-[4-(trifluoromethyl)phenyl]phenyl]urea
CID 11623295
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
1-prop-1-en-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 108910439

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide (CID 134122808) is 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide?
The InChIKey is UAQNNPMESFSIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N2O2/c22-16-2-1-3-17(23)18(16)19(29)28-20(30)27-15-10-6-13(7-11-15)12-4-8-14(9-5-12)21(24,25)26/h1-11H,(H2,27,28,29,30).
What are the key properties of 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide has a molecular weight of 420.34 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 134122808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).