5-chloro-2-ethoxy-4-formamidobenzoic acid

C10H10ClNO4 — CID 14877393

IUPAC5-chloro-2-ethoxy-4-formamidobenzoic acid
SMILESCCOc1cc(NC=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-2-16-9-4-8(12-5-13)7(11)3-6(9)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyAWKWGDWNZYUGEC-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.01
Rot. Bonds5

About 5-chloro-2-ethoxy-4-formamidobenzoic acid

5-chloro-2-ethoxy-4-formamidobenzoic acid (PubChem CID 14877393) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-4-formamidobenzoic acid.

Molecular Properties

Compound Name5-chloro-2-ethoxy-4-formamidobenzoic acid
PubChem CID14877393
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name5-chloro-2-ethoxy-4-formamidobenzoic acid
SMILESCCOc1cc(NC=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-2-16-9-4-8(12-5-13)7(11)3-6(9)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyAWKWGDWNZYUGEC-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-ethoxy-4-formamidobenzoic acid 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 5-chloro-2-ethoxy-4-formamidobenzoic acid?
The IUPAC name of 5-chloro-2-ethoxy-4-formamidobenzoic acid (CID 14877393) is 5-chloro-2-ethoxy-4-formamidobenzoic acid.
What is the SMILES notation for 5-chloro-2-ethoxy-4-formamidobenzoic acid?
The canonical SMILES for 5-chloro-2-ethoxy-4-formamidobenzoic acid is CCOc1cc(NC=O)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-ethoxy-4-formamidobenzoic acid?
The InChIKey is AWKWGDWNZYUGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-2-16-9-4-8(12-5-13)7(11)3-6(9)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-2-ethoxy-4-formamidobenzoic acid?
5-chloro-2-ethoxy-4-formamidobenzoic acid has a molecular weight of 243.65 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-4-formamidobenzoic acid is sourced from PubChem (CID 14877393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).