5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide

C16H17BrN2O3 — CID 9323689

IUPAC5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-10(2)9-18-15(20)11-4-3-5-12(8-11)19-16(21)13-6-7-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIRAOPSPAZVHRQH-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.68
Rot. Bonds5

About 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 9323689) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID9323689
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H17BrN2O3/c1-10(2)9-18-15(20)11-4-3-5-12(8-11)19-16(21)13-6-7-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIRAOPSPAZVHRQH-UHFFFAOYSA-N
XLogP3.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 78897428
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-[propan-2-yl(pyridin-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 86847745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide (CID 9323689) is 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is IRAOPSPAZVHRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10(2)9-18-15(20)11-4-3-5-12(8-11)19-16(21)13-6-7-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 9323689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).