N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide

C12H15ClN2O4 — CID 102638202

IUPACN-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1Cl
InChIInChI=1S/C12H15ClN2O4/c1-14(9-5-3-2-4-8(9)13)12(16)10-6-7-11(19-10)15(17)18/h6-9H,2-5H2,1H3
InChIKeyCIJQJVQKWITSGS-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.81
Rot. Bonds3

About N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide

N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 102638202) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID102638202
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1Cl
InChIInChI=1S/C12H15ClN2O4/c1-14(9-5-3-2-4-8(9)13)12(16)10-6-7-11(19-10)15(17)18/h6-9H,2-5H2,1H3
InChIKeyCIJQJVQKWITSGS-UHFFFAOYSA-N
XLogP2.81
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 28739301
N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102871926
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide (CID 102638202) is N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide is CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is CIJQJVQKWITSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-14(9-5-3-2-4-8(9)13)12(16)10-6-7-11(19-10)15(17)18/h6-9H,2-5H2,1H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide?
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 286.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 102638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).