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

C16H13F5N2O — CID 78778889

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H13F5N2O/c1-23(2)13-7-6-9(16(19,20)21)8-12(13)22-15(24)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,22,24)
InChIKeySCCCNGHSYVCHDE-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.30
Rot. Bonds3

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

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide (PubChem CID 78778889) has the molecular formula C16H13F5N2O and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
PubChem CID78778889
Molecular FormulaC16H13F5N2O
Molecular Weight344.28 g/mol
Exact Mass344.09
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H13F5N2O/c1-23(2)13-7-6-9(16(19,20)21)8-12(13)22-15(24)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,22,24)
InChIKeySCCCNGHSYVCHDE-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 31524427
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 112766862
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide (CID 78778889) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide?
The InChIKey is SCCCNGHSYVCHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O/c1-23(2)13-7-6-9(16(19,20)21)8-12(13)22-15(24)14-10(17)4-3-5-11(14)18/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide has a molecular weight of 344.28 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 78778889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).