5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide

C14H14BrNO2 — CID 50880654

IUPAC5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide
SMILESCCc1cc(-c2ccc(C(N)=O)o2)cc(C)c1Br
InChIInChI=1S/C14H14BrNO2/c1-3-9-7-10(6-8(2)13(9)15)11-4-5-12(18-11)14(16)17/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyRKXHKHAITAUALO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.68
Rot. Bonds3

About 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide

5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide (PubChem CID 50880654) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide
PubChem CID50880654
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide
SMILESCCc1cc(-c2ccc(C(N)=O)o2)cc(C)c1Br
InChIInChI=1S/C14H14BrNO2/c1-3-9-7-10(6-8(2)13(9)15)11-4-5-12(18-11)14(16)17/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyRKXHKHAITAUALO-UHFFFAOYSA-N
XLogP3.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carbaldehyde
CID 50880518
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]propan-1-one
CID 62632741
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
CID 114329542
5-bromofuran-2-carboxamide;hydrochloride
CID 175240071
5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
5-[3-ethyl-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 67111138
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
5-(2,4-difluorophenyl)furan-2-carboxamide
CID 82114716
2-(2-bromo-5-ethyl-1-benzofuran-3-yl)acetamide
CID 4912381
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
1-[5-(4-bromo-3-fluorophenyl)furan-2-yl]ethanone
CID 65437595

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide (CID 50880654) is 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide is CCc1cc(-c2ccc(C(N)=O)o2)cc(C)c1Br.
What is the InChIKey of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide?
The InChIKey is RKXHKHAITAUALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-3-9-7-10(6-8(2)13(9)15)11-4-5-12(18-11)14(16)17/h4-7H,3H2,1-2H3,(H2,16,17).
What are the key properties of 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide?
5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-ethyl-5-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 50880654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).