5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide

C11H11F2NO2 — CID 175836341

IUPAC5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCNC(=O)C1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C11H11F2NO2/c1-14-10(15)11(16)4-6-2-8(12)9(13)3-7(6)5-11/h2-3,16H,4-5H2,1H3,(H,14,15)
InChIKeyVXBPLFMLEGCNMG-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.54
Rot. Bonds1

About 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide

5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide (PubChem CID 175836341) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
PubChem CID175836341
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCNC(=O)C1(O)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C11H11F2NO2/c1-14-10(15)11(16)4-6-2-8(12)9(13)3-7(6)5-11/h2-3,16H,4-5H2,1H3,(H,14,15)
InChIKeyVXBPLFMLEGCNMG-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2,3-dihydro-1H-indene-2-carboxamide
CID 12857778
(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide
CID 134442607
4,6-Difluoro-1-hydroxy-2,3-dihydroindene-1-carboxamide
CID 173096161
2-(4-fluorophenyl)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 92125253
4,4,4-trifluoro-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125394
3-(2-fluorophenyl)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)propanamide
CID 92125397
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 92125400
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137839700
2-hydroxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-dihydroindene-2-carboxamide
CID 137855417
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 139005892
N-cyclopentyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 72128811

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide (CID 175836341) is 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide is CNC(=O)C1(O)Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is VXBPLFMLEGCNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-10(15)11(16)4-6-2-8(12)9(13)3-7(6)5-11/h2-3,16H,4-5H2,1H3,(H,14,15).
What are the key properties of 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide?
5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 227.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-hydroxy-N-methyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 175836341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).