N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide

C12H15ClN2O4 — CID 102871926

IUPACN-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(CCCCl)C1CCC1
InChIInChI=1S/C12H15ClN2O4/c13-7-2-8-14(9-3-1-4-9)12(16)10-5-6-11(19-10)15(17)18/h5-6,9H,1-4,7-8H2
InChIKeyJLULBGCNCHIWRQ-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.81
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide

N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide (PubChem CID 102871926) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
PubChem CID102871926
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
SMILESO=C(c1ccc([N+](=O)[O-])o1)N(CCCCl)C1CCC1
InChIInChI=1S/C12H15ClN2O4/c13-7-2-8-14(9-3-1-4-9)12(16)10-5-6-11(19-10)15(17)18/h5-6,9H,1-4,7-8H2
InChIKeyJLULBGCNCHIWRQ-UHFFFAOYSA-N
XLogP2.81
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
N-cyclopropyl-5-nitro-N-[(4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 31784519
N-(2-amino-2-oxoethyl)-5-nitro-N-piperidin-4-ylfuran-2-carboxamide
CID 60801053
N-(3-chloropropyl)-N-cyclobutyl-4-fluoro-2-nitrobenzamide
CID 102871842
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
N-(cyclopropylmethyl)-5-nitro-N-prop-2-ynylfuran-2-carboxamide
CID 113330101

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide (CID 102871926) is N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide is O=C(c1ccc([N+](=O)[O-])o1)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide?
The InChIKey is JLULBGCNCHIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c13-7-2-8-14(9-3-1-4-9)12(16)10-5-6-11(19-10)15(17)18/h5-6,9H,1-4,7-8H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide?
N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide has a molecular weight of 286.71 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 102871926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).