3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

C17H15F2NO2 — CID 95983082

IUPAC3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO2/c18-14-6-5-12(9-15(14)19)16(21)20-10-17(22)8-7-11-3-1-2-4-13(11)17/h1-6,9,22H,7-8,10H2,(H,20,21)/t17-/m1/s1
InChIKeyIECWWECREIDKEH-QGZVFWFLSA-N
MW303.31 g/mol
LogP2.53
Rot. Bonds3

About 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (PubChem CID 95983082) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
PubChem CID95983082
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2NO2/c18-14-6-5-12(9-15(14)19)16(21)20-10-17(22)8-7-11-3-1-2-4-13(11)17/h1-6,9,22H,7-8,10H2,(H,20,21)/t17-/m1/s1
InChIKeyIECWWECREIDKEH-QGZVFWFLSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294598
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624538
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (CID 95983082) is 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is O=C(NC[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The InChIKey is IECWWECREIDKEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-14-6-5-12(9-15(14)19)16(21)20-10-17(22)8-7-11-3-1-2-4-13(11)17/h1-6,9,22H,7-8,10H2,(H,20,21)/t17-/m1/s1.
What are the key properties of 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide has a molecular weight of 303.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is sourced from PubChem (CID 95983082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).