5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide

C12H16BrNO2 — CID 2986276

IUPAC5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeyZJNOWCTWGCMFSJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.35
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide

5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide (PubChem CID 2986276) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide
PubChem CID2986276
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeyZJNOWCTWGCMFSJ-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide (CID 2986276) is 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide is O=C(NCC1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide?
The InChIKey is ZJNOWCTWGCMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-7-6-10(16-11)12(15)14-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15).
What are the key properties of 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide?
5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2986276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).