6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid

C17H13FN2O3 — CID 69007923

IUPAC6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid
SMILESO=C(CNc1c(C(=O)O)[nH]c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C17H13FN2O3/c18-11-6-7-12-13(8-11)20-16(17(22)23)15(12)19-9-14(21)10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,22,23)
InChIKeyJXBOXQYVJZUCRW-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.30
Rot. Bonds5

About 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid

6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid (PubChem CID 69007923) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid
PubChem CID69007923
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid
SMILESO=C(CNc1c(C(=O)O)[nH]c2cc(F)ccc12)c1ccccc1
InChIInChI=1S/C17H13FN2O3/c18-11-6-7-12-13(8-11)20-16(17(22)23)15(12)19-9-14(21)10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,22,23)
InChIKeyJXBOXQYVJZUCRW-UHFFFAOYSA-N
XLogP3.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid (CID 69007923) is 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid is O=C(CNc1c(C(=O)O)[nH]c2cc(F)ccc12)c1ccccc1.
What is the InChIKey of 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid?
The InChIKey is JXBOXQYVJZUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-11-6-7-12-13(8-11)20-16(17(22)23)15(12)19-9-14(21)10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,22,23).
What are the key properties of 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid?
6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(phenacylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 69007923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).