3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

C17H13ClFNO3 — CID 66700663

IUPAC3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CCC2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)
InChIKeyGYDNKDLSBCJSGM-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.59
Rot. Bonds3

About 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid

3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66700663) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66700663
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1cc2c(cc1F)CCC2NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23)
InChIKeyGYDNKDLSBCJSGM-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic 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 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66700663) is 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1cc2c(cc1F)CCC2NC(=O)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is GYDNKDLSBCJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-13-4-2-1-3-10(13)16(21)20-15-6-5-9-7-14(19)12(17(22)23)8-11(9)15/h1-4,7-8,15H,5-6H2,(H,20,21)(H,22,23).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 333.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66700663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).