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

C14H10Br2ClNOS — CID 114302056

IUPAC4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2ClNOS/c15-9-6-11(20-13(9)16)14(19)18-12-8-4-2-1-3-7(8)5-10(12)17/h1-4,6,10,12H,5H2,(H,18,19)
InChIKeyUGTRSIJUGNRNAL-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.91
Rot. Bonds2

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

4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (PubChem CID 114302056) has the molecular formula C14H10Br2ClNOS and a molecular weight of 435.57 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
PubChem CID114302056
Molecular FormulaC14H10Br2ClNOS
Molecular Weight435.57 g/mol
Exact Mass432.85
IUPAC Name4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2ClNOS/c15-9-6-11(20-13(9)16)14(19)18-12-8-4-2-1-3-7(8)5-10(12)17/h1-4,6,10,12H,5H2,(H,18,19)
InChIKeyUGTRSIJUGNRNAL-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.91
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

4,5-dibromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 61367590
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114302101
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide (CID 114302056) is 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is O=C(NC1c2ccccc2CC1Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
The InChIKey is UGTRSIJUGNRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNOS/c15-9-6-11(20-13(9)16)14(19)18-12-8-4-2-1-3-7(8)5-10(12)17/h1-4,6,10,12H,5H2,(H,18,19).
What are the key properties of 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114302056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).