5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide

C19H21ClN2O5 — CID 19459447

IUPAC5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C19H21ClN2O5/c20-16-9-7-14(22(24)25)11-18(16)26-12-15-8-10-17(27-15)19(23)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6,12H2,(H,21,23)
InChIKeyJNEVBDXLNOUFOS-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.87
Rot. Bonds6

About 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide

5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide (PubChem CID 19459447) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
PubChem CID19459447
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C19H21ClN2O5/c20-16-9-7-14(22(24)25)11-18(16)26-12-15-8-10-17(27-15)19(23)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6,12H2,(H,21,23)
InChIKeyJNEVBDXLNOUFOS-UHFFFAOYSA-N
XLogP4.87
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
N-[1-(1-adamantyl)propyl]-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
CID 19459528
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19459621
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide (CID 19459447) is 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide?
The InChIKey is JNEVBDXLNOUFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c20-16-9-7-14(22(24)25)11-18(16)26-12-15-8-10-17(27-15)19(23)21-13-5-3-1-2-4-6-13/h7-11,13H,1-6,12H2,(H,21,23).
What are the key properties of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide?
5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide is sourced from PubChem (CID 19459447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).