5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide

C12H15Cl2NO2 — CID 106690219

IUPAC5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CCCCC1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-15(9-5-3-2-4-8(9)13)12(16)10-6-7-11(14)17-10/h6-9H,2-5H2,1H3
InChIKeyMLTHVTGUGDLRMF-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.56
Rot. Bonds2

About 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide

5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide (PubChem CID 106690219) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
PubChem CID106690219
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CCCCC1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-15(9-5-3-2-4-8(9)13)12(16)10-6-7-11(14)17-10/h6-9H,2-5H2,1H3
InChIKeyMLTHVTGUGDLRMF-UHFFFAOYSA-N
XLogP3.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
CID 66185904
5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
CID 106685019
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-chloro-N-methylfuran-2-carboxamide
CID 134697114
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]-N-methylfuran-2-carboxamide
CID 126856171
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide (CID 106690219) is 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(Cl)o1)C1CCCCC1Cl.
What is the InChIKey of 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide?
The InChIKey is MLTHVTGUGDLRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-15(9-5-3-2-4-8(9)13)12(16)10-6-7-11(14)17-10/h6-9H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide?
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 106690219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).