N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide

C15H14ClN3O4 — CID 3154698

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14ClN3O4/c16-11-9-10(3-4-12(11)18-7-1-2-8-18)17-15(20)13-5-6-14(23-13)19(21)22/h3-6,9H,1-2,7-8H2,(H,17,20)
InChIKeyZOKXEXIAJFDXMA-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.69
Rot. Bonds4

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 3154698) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID3154698
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14ClN3O4/c16-11-9-10(3-4-12(11)18-7-1-2-8-18)17-15(20)13-5-6-14(23-13)19(21)22/h3-6,9H,1-2,7-8H2,(H,17,20)
InChIKeyZOKXEXIAJFDXMA-UHFFFAOYSA-N
XLogP3.69
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-pyrrolidin-1-ylphenyl)-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-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
N-(4-chlorophenyl)-5-nitrofuran-2-carboxamide
CID 844044
N-(4-amino-2-chlorophenyl)furan-2-carboxamide
CID 721121
N-{3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide
CID 1088361
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 3161426
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 3161521
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-nitrofuran-2-carboxamide
CID 3161537
N-(4-chloro-3-nitrophenyl)furan-2-carboxamide
CID 710694
5-Nitro-furan-2-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774956
N-(2-chlorophenyl)-5-nitro-2-furancarboxamide
CID 844046
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 952829
1-(2-Chlorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 1377199

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide (CID 3154698) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is ZOKXEXIAJFDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-11-9-10(3-4-12(11)18-7-1-2-8-18)17-15(20)13-5-6-14(23-13)19(21)22/h3-6,9H,1-2,7-8H2,(H,17,20).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3154698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).