2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide

C17H13F4NO2 — CID 111970090

IUPAC2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H13F4NO2/c18-13-6-5-10(17(19,20)21)8-12(13)16(24)22-15-11-4-2-1-3-9(11)7-14(15)23/h1-6,8,14-15,23H,7H2,(H,22,24)
InChIKeyKHPAUXXJSYWDSP-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.23
Rot. Bonds2

About 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 111970090) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID111970090
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H13F4NO2/c18-13-6-5-10(17(19,20)21)8-12(13)16(24)22-15-11-4-2-1-3-9(11)7-14(15)23/h1-6,8,14-15,23H,7H2,(H,22,24)
InChIKeyKHPAUXXJSYWDSP-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
4-amino-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107211343
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
CID 144548156
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
2,3-difluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103337662

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide (CID 111970090) is 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide is O=C(NC1c2ccccc2CC1O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is KHPAUXXJSYWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c18-13-6-5-10(17(19,20)21)8-12(13)16(24)22-15-11-4-2-1-3-9(11)7-14(15)23/h1-6,8,14-15,23H,7H2,(H,22,24).
What are the key properties of 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 339.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 111970090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).