5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide

C13H17BrN2O3 — CID 2985825

IUPAC5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C13H17BrN2O3/c14-11-7-6-10(19-11)13(18)15-8-12(17)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17)
InChIKeyGJCGMWNYEAGAST-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2985825) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID2985825
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C13H17BrN2O3/c14-11-7-6-10(19-11)13(18)15-8-12(17)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17)
InChIKeyGJCGMWNYEAGAST-UHFFFAOYSA-N
XLogP2.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12289910
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CID 1770747
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CID 2574277
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CID 2668570
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CID 2813196
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CID 2932965
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CID 2932972
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide (CID 2985825) is 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NC1CCCCC1.
What is the InChIKey of 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GJCGMWNYEAGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-11-7-6-10(19-11)13(18)15-8-12(17)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17).
What are the key properties of 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).