N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide

C14H13ClN2O3 — CID 2206515

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H13ClN2O3/c15-11-5-2-1-4-10(11)13(18)16-7-8-17-14(19)12-6-3-9-20-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeyCWEHGKVFEATIRH-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 2206515) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID2206515
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C14H13ClN2O3/c15-11-5-2-1-4-10(11)13(18)16-7-8-17-14(19)12-6-3-9-20-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeyCWEHGKVFEATIRH-UHFFFAOYSA-N
XLogP2.09
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chlorobenzoyl)amino]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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide (CID 2206515) is N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is CWEHGKVFEATIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-5-2-1-4-10(11)13(18)16-7-8-17-14(19)12-6-3-9-20-12/h1-6,9H,7-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2206515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).