2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide

C15H15BrClNO2 — CID 106852902

IUPAC2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccoc1Br
InChIInChI=1S/C15H15BrClNO2/c1-3-9-5-6-12(17)10(4-2)13(9)18-15(19)11-7-8-20-14(11)16/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyWJMMWGRFCMSJGY-UHFFFAOYSA-N
MW356.65 g/mol
LogP5.07
Rot. Bonds4

About 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide

2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide (PubChem CID 106852902) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
PubChem CID106852902
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1ccoc1Br
InChIInChI=1S/C15H15BrClNO2/c1-3-9-5-6-12(17)10(4-2)13(9)18-15(19)11-7-8-20-14(11)16/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyWJMMWGRFCMSJGY-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
CID 38908667
N-(3-chloro-2,6-diethylphenyl)-4-(trifluoromethyl)benzamide
CID 7920564
N-(3-chloro-2,6-diethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26198598
N-[4-[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51117112
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540
N-(3-chloro-2,6-diethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7920531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide (CID 106852902) is 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide?
The InChIKey is WJMMWGRFCMSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-3-9-5-6-12(17)10(4-2)13(9)18-15(19)11-7-8-20-14(11)16/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide?
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide has a molecular weight of 356.65 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106852902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).