5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide

C13H12BrNO2 — CID 50849668

IUPAC5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)12-8-7-11(17-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3
InChIKeyDBTNLWWASFCRIE-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.41
Rot. Bonds2

About 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide

5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide (PubChem CID 50849668) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide
PubChem CID50849668
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C13H12BrNO2/c1-15(2)13(16)12-8-7-11(17-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3
InChIKeyDBTNLWWASFCRIE-UHFFFAOYSA-N
XLogP3.41
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide (CID 50849668) is 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide is CN(C)C(=O)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide?
The InChIKey is DBTNLWWASFCRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-15(2)13(16)12-8-7-11(17-12)9-5-3-4-6-10(9)14/h3-8H,1-2H3.
What are the key properties of 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide?
5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 50849668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).