5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide

C15H16BrNO4 — CID 26180023

IUPAC5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrNO4/c1-3-19-10-5-6-12(20-4-2)11(9-10)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyVBPZUYOYIGJJBG-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.09
Rot. Bonds6

About 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide

5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide (PubChem CID 26180023) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
PubChem CID26180023
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrNO4/c1-3-19-10-5-6-12(20-4-2)11(9-10)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyVBPZUYOYIGJJBG-UHFFFAOYSA-N
XLogP4.09
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(2,5-diethoxyphenyl)prop-2-enamide
CID 26663841
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N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
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5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
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3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 62831543
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
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CID 33312505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide (CID 26180023) is 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide?
The InChIKey is VBPZUYOYIGJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c1-3-19-10-5-6-12(20-4-2)11(9-10)17-15(18)13-7-8-14(16)21-13/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide?
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide has a molecular weight of 354.20 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 26180023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).