N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide

C10H13ClN2O3 — CID 108571149

IUPACN-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
SMILESO=C(CCCl)NCCNC(=O)c1ccco1
InChIInChI=1S/C10H13ClN2O3/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8/h1-2,7H,3-6H2,(H,12,14)(H,13,15)
InChIKeyQCLHJSHZWMJQSD-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide

N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide (PubChem CID 108571149) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
PubChem CID108571149
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC NameN-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
SMILESO=C(CCCl)NCCNC(=O)c1ccco1
InChIInChI=1S/C10H13ClN2O3/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8/h1-2,7H,3-6H2,(H,12,14)(H,13,15)
InChIKeyQCLHJSHZWMJQSD-UHFFFAOYSA-N
XLogP0.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-chloropropanoylamino)ethyl]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

Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34452082
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide (CID 108571149) is N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide is O=C(CCCl)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide?
The InChIKey is QCLHJSHZWMJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-4-3-9(14)12-5-6-13-10(15)8-2-1-7-16-8/h1-2,7H,3-6H2,(H,12,14)(H,13,15).
What are the key properties of N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide?
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 108571149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).