5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide

C13H12BrNO2 — CID 730613

IUPAC5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C13H12BrNO2/c1-8-3-4-10(7-9(8)2)15-13(16)11-5-6-12(14)17-11/h3-7H,1-2H3,(H,15,16)
InChIKeyFWEWKVXLLQDTLO-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide

5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 730613) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
PubChem CID730613
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C13H12BrNO2/c1-8-3-4-10(7-9(8)2)15-13(16)11-5-6-12(14)17-11/h3-7H,1-2H3,(H,15,16)
InChIKeyFWEWKVXLLQDTLO-UHFFFAOYSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-(3,4-dimethylphenyl)-4,5-dimethylfuran-2-carboxamide
CID 2988789
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-(3-fluoro-4-hydroxyphenyl)furan-2-carboxamide
CID 64781074
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401
5-bromo-N-[4-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112839716
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide (CID 730613) is 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is FWEWKVXLLQDTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-8-3-4-10(7-9(8)2)15-13(16)11-5-6-12(14)17-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide?
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 730613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).