2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide

C17H9F8NO2 — CID 91730966

IUPAC2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H9F8NO2/c1-26(14(27)8-4-2-6-10(12(8)18)16(20,21)22)15(28)9-5-3-7-11(13(9)19)17(23,24)25/h2-7H,1H3
InChIKeyURCIRGDGEDZDIH-UHFFFAOYSA-N
MW411.25 g/mol
LogP4.91
Rot. Bonds2

About 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide

2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 91730966) has the molecular formula C17H9F8NO2 and a molecular weight of 411.25 g/mol. Its IUPAC name is 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID91730966
Molecular FormulaC17H9F8NO2
Molecular Weight411.25 g/mol
Exact Mass411.05
IUPAC Name2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H9F8NO2/c1-26(14(27)8-4-2-6-10(12(8)18)16(20,21)22)15(28)9-5-3-7-11(13(9)19)17(23,24)25/h2-7H,1H3
InChIKeyURCIRGDGEDZDIH-UHFFFAOYSA-N
XLogP4.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
Benzamide, N,N,3-trimethyl-
CID 81351
N,N-Dimethyl-p-trifluorobenzamide
CID 141240
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
4-benzoyl-N,N-diethylbenzamide
CID 755990
N,N-dibenzyl-2,6-difluorobenzamide
CID 2321718
4-(2-Phenylethyl)piperazinyl 3-(trifluoromethyl)phenyl ketone
CID 1245665
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437062
[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-(4-fluoro-phenyl)-methanone
CID 1437837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide (CID 91730966) is 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1F)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is URCIRGDGEDZDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F8NO2/c1-26(14(27)8-4-2-6-10(12(8)18)16(20,21)22)15(28)9-5-3-7-11(13(9)19)17(23,24)25/h2-7H,1H3.
What are the key properties of 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide?
2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 411.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-fluoro-3-(trifluoromethyl)benzoyl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91730966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).