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

C14H11Br2NO2 — CID 114312742

IUPAC5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1ccc(Br)o1
InChIInChI=1S/C14H11Br2NO2/c15-10-7-8-3-1-2-4-9(8)13(10)17-14(18)11-5-6-12(16)19-11/h1-6,10,13H,7H2,(H,17,18)
InChIKeySBIPDHJECCYQRK-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.83
Rot. Bonds2

About 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide

5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide (PubChem CID 114312742) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
PubChem CID114312742
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1ccc(Br)o1
InChIInChI=1S/C14H11Br2NO2/c15-10-7-8-3-1-2-4-9(8)13(10)17-14(18)11-5-6-12(16)19-11/h1-6,10,13H,7H2,(H,17,18)
InChIKeySBIPDHJECCYQRK-UHFFFAOYSA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.83
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-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
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
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-methyloxolane-3-carboxamide
CID 114823296
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylthiolane-2-carboxamide
CID 114312888
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
CID 114302230
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylsulfanylpropanamide
CID 114312848
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide (CID 114312742) is 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide is O=C(NC1c2ccccc2CC1Br)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The InChIKey is SBIPDHJECCYQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-10-7-8-3-1-2-4-9(8)13(10)17-14(18)11-5-6-12(16)19-11/h1-6,10,13H,7H2,(H,17,18).
What are the key properties of 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide has a molecular weight of 385.06 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide is sourced from PubChem (CID 114312742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).