5-bromo-N-(2-ethylphenyl)furan-2-carboxamide

C13H12BrNO2 — CID 835581

IUPAC5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2/c1-2-9-5-3-4-6-10(9)15-13(16)11-7-8-12(14)17-11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyAUFKZSKABNCFLH-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.86
Rot. Bonds3

About 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide

5-bromo-N-(2-ethylphenyl)furan-2-carboxamide (PubChem CID 835581) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
PubChem CID835581
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2/c1-2-9-5-3-4-6-10(9)15-13(16)11-7-8-12(14)17-11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyAUFKZSKABNCFLH-UHFFFAOYSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
tert-butyl N-[2-[[2-[(5-bromofuran-2-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917964
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 68949106
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide (CID 835581) is 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide is CCc1ccccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide?
The InChIKey is AUFKZSKABNCFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-2-9-5-3-4-6-10(9)15-13(16)11-7-8-12(14)17-11/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide?
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 835581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).