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

C14H10Br2FNOS — CID 86963003

IUPAC2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)c1cc(Br)sc1Br
InChIInChI=1S/C14H10Br2FNOS/c15-12-6-9(13(16)20-12)14(19)18-11-5-4-7-8(11)2-1-3-10(7)17/h1-3,6,11H,4-5H2,(H,18,19)
InChIKeyXIEVQXQADNLCIZ-UHFFFAOYSA-N
MW419.11 g/mol
LogP4.83
Rot. Bonds2

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

2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide (PubChem CID 86963003) has the molecular formula C14H10Br2FNOS and a molecular weight of 419.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
PubChem CID86963003
Molecular FormulaC14H10Br2FNOS
Molecular Weight419.11 g/mol
Exact Mass416.88
IUPAC Name2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)c1cc(Br)sc1Br
InChIInChI=1S/C14H10Br2FNOS/c15-12-6-9(13(16)20-12)14(19)18-11-5-4-7-8(11)2-1-3-10(7)17/h1-3,6,11H,4-5H2,(H,18,19)
InChIKeyXIEVQXQADNLCIZ-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.11
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 94198155
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethoxy)benzamide
CID 86833068
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
1-[(2,4-dimethylphenyl)methyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838353
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104776130

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide (CID 86963003) is 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide is O=C(NC1CCc2c(F)cccc21)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The InChIKey is XIEVQXQADNLCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNOS/c15-12-6-9(13(16)20-12)14(19)18-11-5-4-7-8(11)2-1-3-10(7)17/h1-3,6,11H,4-5H2,(H,18,19).
What are the key properties of 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide has a molecular weight of 419.11 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 86963003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).