3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

C16H10F4N2O — CID 158480736

IUPAC3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c(F)c1
InChIInChI=1S/C16H10F4N2O/c17-14-4-8(15(21)23)1-2-11(14)12-5-10(16(18,19)20)3-9-6-22-7-13(9)12/h1-5,7H,6H2,(H2,21,23)
InChIKeyHHMJTVBNLQLNDY-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.54
Rot. Bonds2

About 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide

3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (PubChem CID 158480736) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
PubChem CID158480736
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c(F)c1
InChIInChI=1S/C16H10F4N2O/c17-14-4-8(15(21)23)1-2-11(14)12-5-10(16(18,19)20)3-9-6-22-7-13(9)12/h1-5,7H,6H2,(H2,21,23)
InChIKeyHHMJTVBNLQLNDY-UHFFFAOYSA-N
XLogP3.54
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 158234075
N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 147625011
[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-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]pyrazol-1-yl]acetamide
CID 162099179
2-[2-oxo-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-1-pyridinyl]acetic acid
CID 158586532
[3-(hydroxymethyl)pyrrolidin-1-yl]-[4-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanone
CID 148634789
4-hydroxy-1-[2-methoxy-5-[6-(trifluoromethyl)-1H-isoindol-4-yl]-3-pyridinyl]butan-1-one
CID 158451550
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide
CID 140658926
4-(2,4-difluorophenyl)isoquinoline-6-carboxamide
CID 46940974
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 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide (CID 158480736) is 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is NC(=O)c1ccc(-c2cc(C(F)(F)F)cc3c2C=NC3)c(F)c1.
What is the InChIKey of 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
The InChIKey is HHMJTVBNLQLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-14-4-8(15(21)23)1-2-11(14)12-5-10(16(18,19)20)3-9-6-22-7-13(9)12/h1-5,7H,6H2,(H2,21,23).
What are the key properties of 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide?
3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide has a molecular weight of 322.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide is sourced from PubChem (CID 158480736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).