2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide

C18H19NO3 — CID 140712102

IUPAC2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(OCCO)cc21
InChIInChI=1S/C18H19NO3/c19-18(21)16-4-2-1-3-14(16)15-8-6-12-5-7-13(11-17(12)15)22-10-9-20/h1-5,7,11,15,20H,6,8-10H2,(H2,19,21)/t15-/m0/s1
InChIKeyBUEAHWKEQHVNEG-HNNXBMFYSA-N
MW297.35 g/mol
LogP2.23
Rot. Bonds5

About 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide

2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 140712102) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID140712102
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CCc2ccc(OCCO)cc21
InChIInChI=1S/C18H19NO3/c19-18(21)16-4-2-1-3-14(16)15-8-6-12-5-7-13(11-17(12)15)22-10-9-20/h1-5,7,11,15,20H,6,8-10H2,(H2,19,21)/t15-/m0/s1
InChIKeyBUEAHWKEQHVNEG-HNNXBMFYSA-N
XLogP2.23
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712080
2-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712075
2-[(1R)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 140712238
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
2-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 140712018
2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide
CID 56973697
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
2-[(2S)-6-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 140654696
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
2-[(2S)-6-formyl-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 140554253
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
(1R)-2-[[(2S)-7-(2-hydroxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-phenylethanol
CID 11809585

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 140712102) is 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)c1ccccc1[C@@H]1CCc2ccc(OCCO)cc21.
What is the InChIKey of 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is BUEAHWKEQHVNEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO3/c19-18(21)16-4-2-1-3-14(16)15-8-6-12-5-7-13(11-17(12)15)22-10-9-20/h1-5,7,11,15,20H,6,8-10H2,(H2,19,21)/t15-/m0/s1.
What are the key properties of 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide?
2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-(2-hydroxyethoxy)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 140712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).