2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide

C20H15BrN2O2 — CID 108757660

IUPAC2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
SMILESCC(Br)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C20H15BrN2O2/c1-13(21)19(24)23-20-16(12-22)17(14-8-4-2-5-9-14)18(25-20)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,23,24)
InChIKeyQBZTVFZCNGUWEO-UHFFFAOYSA-N
MW395.26 g/mol
LogP5.21
Rot. Bonds4

About 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide

2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide (PubChem CID 108757660) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
PubChem CID108757660
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
SMILESCC(Br)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C20H15BrN2O2/c1-13(21)19(24)23-20-16(12-22)17(14-8-4-2-5-9-14)18(25-20)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,23,24)
InChIKeyQBZTVFZCNGUWEO-UHFFFAOYSA-N
XLogP5.21
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 108757691
(2R)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422827
(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422829
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
N-(3-cyano-4,5-diphenylfuran-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108757719
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The IUPAC name of 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide (CID 108757660) is 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The canonical SMILES for 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide is CC(Br)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The InChIKey is QBZTVFZCNGUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c1-13(21)19(24)23-20-16(12-22)17(14-8-4-2-5-9-14)18(25-20)15-10-6-3-7-11-15/h2-11,13H,1H3,(H,23,24).
What are the key properties of 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide has a molecular weight of 395.26 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide is sourced from PubChem (CID 108757660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).