(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone

C15H8ClNO4 — CID 79591372

IUPAC(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H8ClNO4/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(21-13)17(19)20/h1-8H
InChIKeyXAEPCEJRMNDPBM-UHFFFAOYSA-N
MW301.69 g/mol
LogP4.23
Rot. Bonds3

About (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone

(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone (PubChem CID 79591372) has the molecular formula C15H8ClNO4 and a molecular weight of 301.69 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone
PubChem CID79591372
Molecular FormulaC15H8ClNO4
Molecular Weight301.69 g/mol
Exact Mass301.01
IUPAC Name(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H8ClNO4/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(21-13)17(19)20/h1-8H
InChIKeyXAEPCEJRMNDPBM-UHFFFAOYSA-N
XLogP4.23
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone (CID 79591372) is (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is XAEPCEJRMNDPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO4/c16-12-6-5-11(9-3-1-2-4-10(9)12)15(18)13-7-8-14(21-13)17(19)20/h1-8H.
What are the key properties of (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone?
(4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 301.69 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 79591372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).