N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide

C17H18N2O4 — CID 2985947

IUPACN-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H18N2O4/c20-17(18-13-6-2-1-3-7-13)16-10-9-15(23-16)12-5-4-8-14(11-12)19(21)22/h4-5,8-11,13H,1-3,6-7H2,(H,18,20)
InChIKeyNBZCDNPZCJITJQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.92
Rot. Bonds4

About N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide

N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 2985947) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID2985947
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H18N2O4/c20-17(18-13-6-2-1-3-7-13)16-10-9-15(23-16)12-5-4-8-14(11-12)19(21)22/h4-5,8-11,13H,1-3,6-7H2,(H,18,20)
InChIKeyNBZCDNPZCJITJQ-UHFFFAOYSA-N
XLogP3.92
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
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 N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide (CID 2985947) is N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide is O=C(NC1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is NBZCDNPZCJITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-17(18-13-6-2-1-3-7-13)16-10-9-15(23-16)12-5-4-8-14(11-12)19(21)22/h4-5,8-11,13H,1-3,6-7H2,(H,18,20).
What are the key properties of N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide?
N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 2985947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).