3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide

C14H11Br2NOS — CID 114312819

IUPAC3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1sccc1Br
InChIInChI=1S/C14H11Br2NOS/c15-10-5-6-19-13(10)14(18)17-12-9-4-2-1-3-8(9)7-11(12)16/h1-6,11-12H,7H2,(H,17,18)
InChIKeyGDBRZGOPMADWFI-UHFFFAOYSA-N
MW401.12 g/mol
LogP4.30
Rot. Bonds2

About 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide

3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (PubChem CID 114312819) has the molecular formula C14H11Br2NOS and a molecular weight of 401.12 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
PubChem CID114312819
Molecular FormulaC14H11Br2NOS
Molecular Weight401.12 g/mol
Exact Mass398.89
IUPAC Name3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1sccc1Br
InChIInChI=1S/C14H11Br2NOS/c15-10-5-6-19-13(10)14(18)17-12-9-4-2-1-3-8(9)7-11(12)16/h1-6,11-12H,7H2,(H,17,18)
InChIKeyGDBRZGOPMADWFI-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide
CID 3770577
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312884
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817
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-(tetrazol-1-yl)thiophene-2-carboxamide
CID 110903617
3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
CID 104927269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (CID 114312819) is 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is O=C(NC1c2ccccc2CC1Br)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The InChIKey is GDBRZGOPMADWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NOS/c15-10-5-6-19-13(10)14(18)17-12-9-4-2-1-3-8(9)7-11(12)16/h1-6,11-12H,7H2,(H,17,18).
What are the key properties of 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide has a molecular weight of 401.12 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114312819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).