N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide

C18H14F5NO2 — CID 135058825

IUPACN-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)C(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14F5NO2/c1-18(2,3)16(25)8-6-4-5-7-9(8)24-17(26)10-11(19)13(21)15(23)14(22)12(10)20/h4-7H,1-3H3,(H,24,26)
InChIKeyNQZZKQDRWNWILW-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.86
Rot. Bonds3

About N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide

N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 135058825) has the molecular formula C18H14F5NO2 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID135058825
Molecular FormulaC18H14F5NO2
Molecular Weight371.31 g/mol
Exact Mass371.09
IUPAC NameN-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)C(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H14F5NO2/c1-18(2,3)16(25)8-6-4-5-7-9(8)24-17(26)10-11(19)13(21)15(23)14(22)12(10)20/h4-7H,1-3H3,(H,24,26)
InChIKeyNQZZKQDRWNWILW-UHFFFAOYSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
(2,3,4,5,6-pentafluorophenyl)-[2-(trifluoromethylamino)phenyl]methanone
CID 89275551
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide (CID 135058825) is N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide is CC(C)(C)C(=O)c1ccccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is NQZZKQDRWNWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5NO2/c1-18(2,3)16(25)8-6-4-5-7-9(8)24-17(26)10-11(19)13(21)15(23)14(22)12(10)20/h4-7H,1-3H3,(H,24,26).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide?
N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 371.31 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)phenyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 135058825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).