4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide

C12H9BrN2O2 — CID 7655795

IUPAC4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccc(Br)cc2)OCC1
InChIInChI=1S/C12H9BrN2O2/c13-10-3-1-8(2-4-10)11(16)15-12-9(7-14)5-6-17-12/h1-4H,5-6H2,(H,15,16)
InChIKeyLGADZSOYPNPPPH-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.33
Rot. Bonds2

About 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide

4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide (PubChem CID 7655795) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide
PubChem CID7655795
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccc(Br)cc2)OCC1
InChIInChI=1S/C12H9BrN2O2/c13-10-3-1-8(2-4-10)11(16)15-12-9(7-14)5-6-17-12/h1-4H,5-6H2,(H,15,16)
InChIKeyLGADZSOYPNPPPH-UHFFFAOYSA-N
XLogP2.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-cyano-2,3-dihydrofuran-5-yl)carbamoyl]benzoate
CID 7655862
N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide
CID 7656005
N-(4-cyano-2,3-dihydrofuran-5-yl)-2-phenoxybenzamide
CID 7655952
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
N-(4-cyano-2,3-dihydrofuran-5-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086365
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide
CID 150073448
4-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]benzamide
CID 54791460
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide (CID 7655795) is 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide is N#CC1=C(NC(=O)c2ccc(Br)cc2)OCC1.
What is the InChIKey of 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide?
The InChIKey is LGADZSOYPNPPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-10-3-1-8(2-4-10)11(16)15-12-9(7-14)5-6-17-12/h1-4H,5-6H2,(H,15,16).
What are the key properties of 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide?
4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide has a molecular weight of 293.12 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyano-2,3-dihydrofuran-5-yl)benzamide is sourced from PubChem (CID 7655795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).