N-benzyl-5-bromofuran-2-carboxamide

C12H10BrNO2 — CID 762672

IUPACN-benzyl-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C12H10BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeyDUZGNGADSRKPPY-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.97
Rot. Bonds3

About N-benzyl-5-bromofuran-2-carboxamide

N-benzyl-5-bromofuran-2-carboxamide (PubChem CID 762672) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is N-benzyl-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromofuran-2-carboxamide
PubChem CID762672
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC NameN-benzyl-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C12H10BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKeyDUZGNGADSRKPPY-UHFFFAOYSA-N
XLogP2.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-bromofuran-2-carboxamide (CID 762672) is N-benzyl-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-bromofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-bromofuran-2-carboxamide is O=C(NCc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of N-benzyl-5-bromofuran-2-carboxamide?
The InChIKey is DUZGNGADSRKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15).
What are the key properties of N-benzyl-5-bromofuran-2-carboxamide?
N-benzyl-5-bromofuran-2-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromofuran-2-carboxamide is sourced from PubChem (CID 762672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).