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

C16H14BrNO2 — CID 61368559

IUPAC3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO2/c17-12-6-3-5-11(8-12)16(20)18-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,19H,9H2,(H,18,20)
InChIKeyVTQDJGCVJSWHRP-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.84
Rot. Bonds2

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

3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 61368559) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID61368559
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1c2ccccc2CC1O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO2/c17-12-6-3-5-11(8-12)16(20)18-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,19H,9H2,(H,18,20)
InChIKeyVTQDJGCVJSWHRP-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
3-(chloromethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107216797
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 110903627
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide (CID 61368559) is 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1c2ccccc2CC1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is VTQDJGCVJSWHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-12-6-3-5-11(8-12)16(20)18-15-13-7-2-1-4-10(13)9-14(15)19/h1-8,14-15,19H,9H2,(H,18,20).
What are the key properties of 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide?
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 332.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 61368559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).