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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Related Compounds

5-(2-bromophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82124888
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
5-(2-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388419
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
1-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 62500197
5-(2-bromophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882532

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).