5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide

C12H18BrNO2 — CID 55028916

IUPAC5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-8(2)4-5-9(3)14-12(15)10-6-7-11(13)16-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeySWJACOXPGGHPGZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.60
Rot. Bonds5

About 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide

5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide (PubChem CID 55028916) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
PubChem CID55028916
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO2/c1-8(2)4-5-9(3)14-12(15)10-6-7-11(13)16-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeySWJACOXPGGHPGZ-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide (CID 55028916) is 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide is CC(C)CCC(C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The InChIKey is SWJACOXPGGHPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(2)4-5-9(3)14-12(15)10-6-7-11(13)16-10/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide?
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 55028916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).