2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide

C13H13ClN2O2 — CID 169367664

IUPAC2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cccc(-c2ccc(CO)o2)c1
InChIInChI=1S/C13H13ClN2O2/c14-7-13(15)16-10-3-1-2-9(6-10)12-5-4-11(8-17)18-12/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyQTUFVFRLKUXBBS-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide

2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide (PubChem CID 169367664) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide
PubChem CID169367664
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1cccc(-c2ccc(CO)o2)c1
InChIInChI=1S/C13H13ClN2O2/c14-7-13(15)16-10-3-1-2-9(6-10)12-5-4-11(8-17)18-12/h1-6,17H,7-8H2,(H2,15,16)
InChIKeyQTUFVFRLKUXBBS-UHFFFAOYSA-N
XLogP2.67
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide 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 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide (CID 169367664) is 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide is N/C(CCl)=N/c1cccc(-c2ccc(CO)o2)c1.
What is the InChIKey of 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide?
The InChIKey is QTUFVFRLKUXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-7-13(15)16-10-3-1-2-9(6-10)12-5-4-11(8-17)18-12/h1-6,17H,7-8H2,(H2,15,16).
What are the key properties of 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide?
2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide has a molecular weight of 264.71 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide is sourced from PubChem (CID 169367664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).