N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

C18H15F3N2O — CID 147625011

IUPACN,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESCN(C)C(=O)c1ccccc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C18H15F3N2O/c1-23(2)17(24)14-6-4-3-5-13(14)15-8-12(18(19,20)21)7-11-9-22-10-16(11)15/h3-8,10H,9H2,1-2H3
InChIKeyGEPJWZRUAIROFU-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.01
Rot. Bonds2

About N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (PubChem CID 147625011) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
PubChem CID147625011
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESCN(C)C(=O)c1ccccc1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C18H15F3N2O/c1-23(2)17(24)14-6-4-3-5-13(14)15-8-12(18(19,20)21)7-11-9-22-10-16(11)15/h3-8,10H,9H2,1-2H3
InChIKeyGEPJWZRUAIROFU-UHFFFAOYSA-N
XLogP4.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 158234075
3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 158480736
[4-methoxy-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 153195814
4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzenesulfonamide
CID 148861191
2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
CID 158586532
2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
CID 162099179
4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
CID 161055825
4-hydroxy-1-[2-methoxy-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-3-pyridinyl]butan-1-one
CID 158451550
[3-(hydroxymethyl)pyrrolidin-1-yl]-[4-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanone
CID 148634789
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 146879083

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The IUPAC name of N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (CID 147625011) is N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The canonical SMILES for N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is CN(C)C(=O)c1ccccc1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The InChIKey is GEPJWZRUAIROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-23(2)17(24)14-6-4-3-5-13(14)15-8-12(18(19,20)21)7-11-9-22-10-16(11)15/h3-8,10H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide has a molecular weight of 332.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is sourced from PubChem (CID 147625011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).