5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide

C17H12F2N2O2 — CID 130460017

IUPAC5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)c3[nH]cc(C(N)=O)c3c2)c(F)c1
InChIInChI=1S/C17H12F2N2O2/c1-8(22)9-2-3-11(14(18)5-9)10-4-12-13(17(20)23)7-21-16(12)15(19)6-10/h2-7,21H,1H3,(H2,20,23)
InChIKeyQRHJKBYOWQSJHJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.41
Rot. Bonds3

About 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide

5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide (PubChem CID 130460017) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide
PubChem CID130460017
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)c3[nH]cc(C(N)=O)c3c2)c(F)c1
InChIInChI=1S/C17H12F2N2O2/c1-8(22)9-2-3-11(14(18)5-9)10-4-12-13(17(20)23)7-21-16(12)15(19)6-10/h2-7,21H,1H3,(H2,20,23)
InChIKeyQRHJKBYOWQSJHJ-UHFFFAOYSA-N
XLogP3.41
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide?
The IUPAC name of 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide (CID 130460017) is 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide is CC(=O)c1ccc(-c2cc(F)c3[nH]cc(C(N)=O)c3c2)c(F)c1.
What is the InChIKey of 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide?
The InChIKey is QRHJKBYOWQSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-8(22)9-2-3-11(14(18)5-9)10-4-12-13(17(20)23)7-21-16(12)15(19)6-10/h2-7,21H,1H3,(H2,20,23).
What are the key properties of 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide?
5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-2-fluorophenyl)-7-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 130460017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).