N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide

C17H18ClN3O2 — CID 6871468

IUPACN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-4-13(10-14)16-7-6-15(23-16)11-19-20-17(22)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)/b19-11+
InChIKeyDTCXHUIELAHBNI-YBFXNURJSA-N
MW331.80 g/mol
LogP3.15
Rot. Bonds5

About N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide

N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide (PubChem CID 6871468) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
PubChem CID6871468
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H18ClN3O2/c18-14-5-3-4-13(10-14)16-7-6-15(23-16)11-19-20-17(22)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)/b19-11+
InChIKeyDTCXHUIELAHBNI-YBFXNURJSA-N
XLogP3.15
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide 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-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide (CID 6871468) is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
The InChIKey is DTCXHUIELAHBNI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-5-3-4-13(10-14)16-7-6-15(23-16)11-19-20-17(22)12-21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide?
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 331.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 6871468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).