N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide

C14H20BrNO2 — CID 106133052

IUPACN-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCCC(Br)C2)o1
InChIInChI=1S/C14H20BrNO2/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyCXUBSKHCBPLTKZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.53
Rot. Bonds4

About N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide

N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide (PubChem CID 106133052) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
PubChem CID106133052
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC2CCCC(Br)C2)o1
InChIInChI=1S/C14H20BrNO2/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyCXUBSKHCBPLTKZ-UHFFFAOYSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-ethyl-N-[(2-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64929693
5-ethyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 79095320
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
CID 106132945
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide (CID 106133052) is N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCC2CCCC(Br)C2)o1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide?
The InChIKey is CXUBSKHCBPLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-12-6-7-13(18-12)14(17)16-9-10-4-3-5-11(15)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide?
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 106133052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).