2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

C10H7ClFNO3 — CID 64914575

IUPAC2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2c(F)ccc(Cl)c21
InChIInChI=1S/C10H7ClFNO3/c11-5-1-2-6(12)9-8(5)4(3-7(14)15)10(16)13-9/h1-2,4H,3H2,(H,13,16)(H,14,15)
InChIKeyCBLCAKKSMCCKQL-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.99
Rot. Bonds2

About 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (PubChem CID 64914575) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
PubChem CID64914575
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2c(F)ccc(Cl)c21
InChIInChI=1S/C10H7ClFNO3/c11-5-1-2-6(12)9-8(5)4(3-7(14)15)10(16)13-9/h1-2,4H,3H2,(H,13,16)(H,14,15)
InChIKeyCBLCAKKSMCCKQL-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (CID 64914575) is 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is O=C(O)CC1C(=O)Nc2c(F)ccc(Cl)c21.
What is the InChIKey of 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The InChIKey is CBLCAKKSMCCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-5-1-2-6(12)9-8(5)4(3-7(14)15)10(16)13-9/h1-2,4H,3H2,(H,13,16)(H,14,15).
What are the key properties of 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid has a molecular weight of 243.62 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 64914575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).