5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide

C17H16BrNO2 — CID 65311609

IUPAC5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H16BrNO2/c1-10-6-7-12(18)9-14(10)17(21)19-16-13-5-3-2-4-11(13)8-15(16)20/h2-7,9,15-16,20H,8H2,1H3,(H,19,21)
InChIKeyFSVODZBGVNKZEM-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.15
Rot. Bonds2

About 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide

5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide (PubChem CID 65311609) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
PubChem CID65311609
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H16BrNO2/c1-10-6-7-12(18)9-14(10)17(21)19-16-13-5-3-2-4-11(13)8-15(16)20/h2-7,9,15-16,20H,8H2,1H3,(H,19,21)
InChIKeyFSVODZBGVNKZEM-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
1-(4-bromo-2,6-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 52860459
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 111829594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide (CID 65311609) is 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide?
The InChIKey is FSVODZBGVNKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10-6-7-12(18)9-14(10)17(21)19-16-13-5-3-2-4-11(13)8-15(16)20/h2-7,9,15-16,20H,8H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide?
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide has a molecular weight of 346.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide is sourced from PubChem (CID 65311609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).