2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide

C12H10BrNO3 — CID 54563968

IUPAC2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1=CC(=O)OC1
InChIInChI=1S/C12H10BrNO3/c13-9-3-1-2-8(4-9)5-11(15)14-10-6-12(16)17-7-10/h1-4,6H,5,7H2,(H,14,15)
InChIKeyZSNPWRRPOAZXLV-UHFFFAOYSA-N
MW296.12 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide

2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 54563968) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID54563968
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESO=C(Cc1cccc(Br)c1)NC1=CC(=O)OC1
InChIInChI=1S/C12H10BrNO3/c13-9-3-1-2-8(4-9)5-11(15)14-10-6-12(16)17-7-10/h1-4,6H,5,7H2,(H,14,15)
InChIKeyZSNPWRRPOAZXLV-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxybenzoic acid
CID 104832973
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
bromo 2-(3-bromophenyl)acetate
CID 174910278
N,4-bis(3-bromophenyl)-3-oxobutanamide
CID 159771681
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
CID 81271927
2-(3-bromophenyl)acetamide
CID 11736027
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide (CID 54563968) is 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is O=C(Cc1cccc(Br)c1)NC1=CC(=O)OC1.
What is the InChIKey of 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is ZSNPWRRPOAZXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-9-3-1-2-8(4-9)5-11(15)14-10-6-12(16)17-7-10/h1-4,6H,5,7H2,(H,14,15).
What are the key properties of 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide?
2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide has a molecular weight of 296.12 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 54563968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).