5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid

C19H14ClNO4 — CID 46935551

IUPAC5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C19H14ClNO4/c20-15-4-5-17(16(10-15)19(23)24)21-18(22)9-12-2-1-3-13(8-12)14-6-7-25-11-14/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyOMJDYJJCLCIPPV-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.48
Rot. Bonds5

About 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid

5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid (PubChem CID 46935551) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid
PubChem CID46935551
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C19H14ClNO4/c20-15-4-5-17(16(10-15)19(23)24)21-18(22)9-12-2-1-3-13(8-12)14-6-7-25-11-14/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyOMJDYJJCLCIPPV-UHFFFAOYSA-N
XLogP4.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic 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-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid (CID 46935551) is 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid is O=C(Cc1cccc(-c2ccoc2)c1)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid?
The InChIKey is OMJDYJJCLCIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-15-4-5-17(16(10-15)19(23)24)21-18(22)9-12-2-1-3-13(8-12)14-6-7-25-11-14/h1-8,10-11H,9H2,(H,21,22)(H,23,24).
What are the key properties of 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid?
5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid has a molecular weight of 355.78 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[3-(furan-3-yl)phenyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 46935551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).