6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid

C17H14FN3O3 — CID 162652759

IUPAC6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1cc(Nc2ccc(F)cc2)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C17H14FN3O3/c1-9(22)19-12-6-14(20-11-4-2-10(18)3-5-11)13-8-16(17(23)24)21-15(13)7-12/h2-8,20-21H,1H3,(H,19,22)(H,23,24)
InChIKeyOAJMIUWEPANPOP-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.71
Rot. Bonds4

About 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid

6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid (PubChem CID 162652759) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid
PubChem CID162652759
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1cc(Nc2ccc(F)cc2)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C17H14FN3O3/c1-9(22)19-12-6-14(20-11-4-2-10(18)3-5-11)13-8-16(17(23)24)21-15(13)7-12/h2-8,20-21H,1H3,(H,19,22)(H,23,24)
InChIKeyOAJMIUWEPANPOP-UHFFFAOYSA-N
XLogP3.71
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid (CID 162652759) is 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid is CC(=O)Nc1cc(Nc2ccc(F)cc2)c2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid?
The InChIKey is OAJMIUWEPANPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-9(22)19-12-6-14(20-11-4-2-10(18)3-5-11)13-8-16(17(23)24)21-15(13)7-12/h2-8,20-21H,1H3,(H,19,22)(H,23,24).
What are the key properties of 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid?
6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-(4-fluoroanilino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162652759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).