N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide

C17H20ClN3O2 — CID 952829

IUPACN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22)
InChIKeyALGFHGCJNGAOGX-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.33
Rot. Bonds4

About N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide

N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 952829) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID952829
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C17H20ClN3O2/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22)
InChIKeyALGFHGCJNGAOGX-UHFFFAOYSA-N
XLogP3.33
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 952829) is N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is ALGFHGCJNGAOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-20-7-9-21(10-8-20)15-6-5-13(12-14(15)18)19-17(22)16-4-3-11-23-16/h3-6,11-12H,2,7-10H2,1H3,(H,19,22).
What are the key properties of N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).