3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide

C13H6F5NO — CID 44586466

IUPAC3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyUBLRJWGWOZMENF-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.63
Rot. Bonds2

About 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide

3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide (PubChem CID 44586466) has the molecular formula C13H6F5NO and a molecular weight of 287.19 g/mol. Its IUPAC name is 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
PubChem CID44586466
Molecular FormulaC13H6F5NO
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyUBLRJWGWOZMENF-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide (CID 44586466) is 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide is O=C(Nc1c(F)cc(F)cc1F)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide?
The InChIKey is UBLRJWGWOZMENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide?
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide has a molecular weight of 287.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide is sourced from PubChem (CID 44586466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).