N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide

C18H19N3O5 — CID 155412684

IUPACN-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C18H19N3O5/c22-17(19-13-6-2-1-3-7-13)12-5-4-8-14(11-12)20-18(23)15-9-10-16(26-15)21(24)25/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H,20,23)
InChIKeyXZVSXTFLJWINAH-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.50
Rot. Bonds5

About N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide

N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 155412684) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
PubChem CID155412684
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C18H19N3O5/c22-17(19-13-6-2-1-3-7-13)12-5-4-8-14(11-12)20-18(23)15-9-10-16(26-15)21(24)25/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H,20,23)
InChIKeyXZVSXTFLJWINAH-UHFFFAOYSA-N
XLogP3.50
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
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'}

Analyze N-[3-(cyclohexylcarbamoyl)phenyl]-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-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
CID 68778177
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide (CID 155412684) is N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide is O=C(NC1CCCCC1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is XZVSXTFLJWINAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-17(19-13-6-2-1-3-7-13)12-5-4-8-14(11-12)20-18(23)15-9-10-16(26-15)21(24)25/h4-5,8-11,13H,1-3,6-7H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide?
N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 155412684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).