N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide

C14H20BrNO2 — CID 113359960

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(CBr)CCCCC2)o1
InChIInChI=1S/C14H20BrNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h5-6H,2-4,7-10H2,1H3,(H,16,17)
InChIKeyYDZKGFJIDSUKAB-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.66
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide (PubChem CID 113359960) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
PubChem CID113359960
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(CBr)CCCCC2)o1
InChIInChI=1S/C14H20BrNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h5-6H,2-4,7-10H2,1H3,(H,16,17)
InChIKeyYDZKGFJIDSUKAB-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 115271474
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113294868
5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 122559983
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
N-[[1-(bromomethyl)cyclohexyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672795
N-[[1-(bromomethyl)cyclohexyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113359984
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide (CID 113359960) is N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC2(CBr)CCCCC2)o1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is YDZKGFJIDSUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-5-6-12(18-11)13(17)16-10-14(9-15)7-3-2-4-8-14/h5-6H,2-4,7-10H2,1H3,(H,16,17).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 113359960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).