5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide

C15H16BrNO2 — CID 3111249

IUPAC5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16BrNO2/c1-3-10(2)11-4-6-12(7-5-11)17-15(18)13-8-9-14(16)19-13/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyARZVSFDKWAYQAW-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.81
Rot. Bonds4

About 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide

5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide (PubChem CID 3111249) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
PubChem CID3111249
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H16BrNO2/c1-3-10(2)11-4-6-12(7-5-11)17-15(18)13-8-9-14(16)19-13/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyARZVSFDKWAYQAW-UHFFFAOYSA-N
XLogP4.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
5-bromo-N-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide (CID 3111249) is 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide is CCC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is ARZVSFDKWAYQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-10(2)11-4-6-12(7-5-11)17-15(18)13-8-9-14(16)19-13/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide?
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3111249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).