4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid

C15H9ClF2N2O2 — CID 141488710

IUPAC4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22)
InChIKeyVAROLUTTYUIBGD-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.54
Rot. Bonds3

About 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid

4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid (PubChem CID 141488710) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
PubChem CID141488710
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H9ClF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22)
InChIKeyVAROLUTTYUIBGD-UHFFFAOYSA-N
XLogP4.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid (CID 141488710) is 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is VAROLUTTYUIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 141488710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).