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

C15H10ClFN2O2 — CID 141488771

IUPAC4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)cccc2[nH]1
InChIInChI=1S/C15H10ClFN2O2/c16-10-6-8(4-5-11(10)17)18-12-2-1-3-13-9(12)7-14(19-13)15(20)21/h1-7,18-19H,(H,20,21)
InChIKeyUTEBFHYUPLSFFR-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.40
Rot. Bonds3

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

4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid (PubChem CID 141488771) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid
PubChem CID141488771
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)cccc2[nH]1
InChIInChI=1S/C15H10ClFN2O2/c16-10-6-8(4-5-11(10)17)18-12-2-1-3-13-9(12)7-14(19-13)15(20)21/h1-7,18-19H,(H,20,21)
InChIKeyUTEBFHYUPLSFFR-UHFFFAOYSA-N
XLogP4.40
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.40
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)-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid (CID 141488771) is 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Nc3ccc(F)c(Cl)c3)cccc2[nH]1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid?
The InChIKey is UTEBFHYUPLSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-10-6-8(4-5-11(10)17)18-12-2-1-3-13-9(12)7-14(19-13)15(20)21/h1-7,18-19H,(H,20,21).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid?
4-(3-chloro-4-fluoroanilino)-1H-indole-2-carboxylic acid has a molecular weight of 304.71 g/mol, XLogP of 4.40, 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)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 141488771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).