3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid

C16H11FN2O3 — CID 158275736

IUPAC3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1ccc(F)cc1)=NC2
InChIInChI=1S/C16H11FN2O3/c17-12-5-3-9(4-6-12)15(20)19-14-13-7-10(16(21)22)1-2-11(13)8-18-14/h1-7H,8H2,(H,21,22)(H,18,19,20)
InChIKeyVQNKJNBIBJKTRS-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.21
Rot. Bonds2

About 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid

3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid (PubChem CID 158275736) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid
PubChem CID158275736
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1ccc(F)cc1)=NC2
InChIInChI=1S/C16H11FN2O3/c17-12-5-3-9(4-6-12)15(20)19-14-13-7-10(16(21)22)1-2-11(13)8-18-14/h1-7H,8H2,(H,21,22)(H,18,19,20)
InChIKeyVQNKJNBIBJKTRS-UHFFFAOYSA-N
XLogP2.21
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[6-(3-thiophen-2-ylpropyl)-3H-isoindol-1-yl]benzamide;hydrochloride
CID 160830755
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
3H-indazole-6-carboxylic acid
CID 124518030
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid (CID 158275736) is 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(NC(=O)c1ccc(F)cc1)=NC2.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid?
The InChIKey is VQNKJNBIBJKTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-12-5-3-9(4-6-12)15(20)19-14-13-7-10(16(21)22)1-2-11(13)8-18-14/h1-7H,8H2,(H,21,22)(H,18,19,20).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid?
3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid has a molecular weight of 298.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-1H-isoindole-5-carboxylic acid is sourced from PubChem (CID 158275736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).