N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide

C13H13ClN2O2 — CID 106683233

IUPACN-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)o1)c1cccc(N)c1
InChIInChI=1S/C13H13ClN2O2/c1-2-16(10-5-3-4-9(15)8-10)13(17)11-6-7-12(14)18-11/h3-8H,2,15H2,1H3
InChIKeyQJEBBJACIRHXLQ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.18
Rot. Bonds3

About N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide

N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide (PubChem CID 106683233) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
PubChem CID106683233
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)o1)c1cccc(N)c1
InChIInChI=1S/C13H13ClN2O2/c1-2-16(10-5-3-4-9(15)8-10)13(17)11-6-7-12(14)18-11/h3-8H,2,15H2,1H3
InChIKeyQJEBBJACIRHXLQ-UHFFFAOYSA-N
XLogP3.18
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide (CID 106683233) is N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide is CCN(C(=O)c1ccc(Cl)o1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide?
The InChIKey is QJEBBJACIRHXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-16(10-5-3-4-9(15)8-10)13(17)11-6-7-12(14)18-11/h3-8H,2,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide?
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 106683233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).