5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide

C13H18BrNO2 — CID 55028576

IUPAC5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrNO2/c1-9-3-5-10(6-4-9)15(2)13(16)11-7-8-12(14)17-11/h7-10H,3-6H2,1-2H3
InChIKeyZBXAEWLQIZKKMP-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide

5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide (PubChem CID 55028576) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
PubChem CID55028576
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrNO2/c1-9-3-5-10(6-4-9)15(2)13(16)11-7-8-12(14)17-11/h7-10H,3-6H2,1-2H3
InChIKeyZBXAEWLQIZKKMP-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide (CID 55028576) is 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide is CC1CCC(N(C)C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide?
The InChIKey is ZBXAEWLQIZKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-3-5-10(6-4-9)15(2)13(16)11-7-8-12(14)17-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide?
5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 55028576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).