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

C14H12BrNO2 — CID 114312884

IUPACN-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1ccco1
InChIInChI=1S/C14H12BrNO2/c15-11-8-9-4-1-2-5-10(9)13(11)16-14(17)12-6-3-7-18-12/h1-7,11,13H,8H2,(H,16,17)
InChIKeyAOZISBQOOLQJGR-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.07
Rot. Bonds2

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

N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide (PubChem CID 114312884) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
PubChem CID114312884
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC NameN-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
SMILESO=C(NC1c2ccccc2CC1Br)c1ccco1
InChIInChI=1S/C14H12BrNO2/c15-11-8-9-4-1-2-5-10(9)13(11)16-14(17)12-6-3-7-18-12/h1-7,11,13H,8H2,(H,16,17)
InChIKeyAOZISBQOOLQJGR-UHFFFAOYSA-N
XLogP3.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.07
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

5-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 114312742
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-iodobenzamide
CID 114312900
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)-5-ethylthiophene-2-carboxamide
CID 114312817
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
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
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-methylsulfonylpropanamide
CID 114983105
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
CID 114312904
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The IUPAC name of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide (CID 114312884) is N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide is O=C(NC1c2ccccc2CC1Br)c1ccco1.
What is the InChIKey of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
The InChIKey is AOZISBQOOLQJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-11-8-9-4-1-2-5-10(9)13(11)16-14(17)12-6-3-7-18-12/h1-7,11,13H,8H2,(H,16,17).
What are the key properties of N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide?
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide is sourced from PubChem (CID 114312884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).