4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide

C14H11Br2NO2S — CID 61367590

IUPAC4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H11Br2NO2S/c15-9-6-11(20-13(9)16)14(19)17-12-8-4-2-1-3-7(8)5-10(12)18/h1-4,6,10,12,18H,5H2,(H,17,19)
InChIKeyHDIFFQYFBRHHIL-UHFFFAOYSA-N
MW417.12 g/mol
LogP3.66
Rot. Bonds2

About 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide

4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (PubChem CID 61367590) has the molecular formula C14H11Br2NO2S and a molecular weight of 417.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
PubChem CID61367590
Molecular FormulaC14H11Br2NO2S
Molecular Weight417.12 g/mol
Exact Mass414.89
IUPAC Name4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H11Br2NO2S/c15-9-6-11(20-13(9)16)14(19)17-12-8-4-2-1-3-7(8)5-10(12)18/h1-4,6,10,12,18H,5H2,(H,17,19)
InChIKeyHDIFFQYFBRHHIL-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114302056
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
5-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methylthiophene-2-carboxamide
CID 61367402
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2-bromo-6-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 115867109

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (CID 61367590) is 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is O=C(NC1c2ccccc2CC1O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The InChIKey is HDIFFQYFBRHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2S/c15-9-6-11(20-13(9)16)14(19)17-12-8-4-2-1-3-7(8)5-10(12)18/h1-4,6,10,12,18H,5H2,(H,17,19).
What are the key properties of 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide has a molecular weight of 417.12 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).