N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide

C14H18N2O4 — CID 4315153

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC2CCC1C2
InChIInChI=1S/C14H18N2O4/c1-8(11-7-9-2-3-10(11)6-9)15-14(17)12-4-5-13(20-12)16(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyKTTCCWLVXJXHBZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 4315153) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide
PubChem CID4315153
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC2CCC1C2
InChIInChI=1S/C14H18N2O4/c1-8(11-7-9-2-3-10(11)6-9)15-14(17)12-4-5-13(20-12)16(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyKTTCCWLVXJXHBZ-UHFFFAOYSA-N
XLogP2.74
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.74
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'}

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-1-adamantyl-5-nitro-2-furamide
CID 2994355
N-benzyl-5-nitrofuran-2-carboxamide
CID 2796393
(2-Ethyl-piperidin-1-yl)-(5-nitro-furan-2-yl)-methanone
CID 2836735
N-[1-(1-adamantyl)ethyl]-5-nitrofuran-2-carboxamide
CID 2943399
5-nitro-N-[3-(trifluoromethyl)cyclohexyl]furan-2-carboxamide
CID 4178147
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4433217
N-cyclohexyl-5-nitrofuran-2-carboxamide
CID 840339
5-nitro-N-(2-phenylethyl)furan-2-carboxamide
CID 676060
N-[(4-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 743472
5-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}furan-2-carboxamide
CID 2531916
N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide
CID 3099052
5-nitro-N-(3-phenylpropyl)furan-2-carboxamide
CID 17146059

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide (CID 4315153) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide is CC(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is KTTCCWLVXJXHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(11-7-9-2-3-10(11)6-9)15-14(17)12-4-5-13(20-12)16(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 4315153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).