2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid

C18H12F2N2O3 — CID 10914823

IUPAC2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESN#CC(C(=O)O)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C18H12F2N2O3/c19-11-3-1-10(2-4-11)9-22-15-6-5-12(20)7-13(15)16(17(22)23)14(8-21)18(24)25/h1-7,14,16H,9H2,(H,24,25)
InChIKeyIPSRZDHLMFNRDU-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.82
Rot. Bonds4

About 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid

2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid (PubChem CID 10914823) has the molecular formula C18H12F2N2O3 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
PubChem CID10914823
Molecular FormulaC18H12F2N2O3
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESN#CC(C(=O)O)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21
InChIInChI=1S/C18H12F2N2O3/c19-11-3-1-10(2-4-11)9-22-15-6-5-12(20)7-13(15)16(17(22)23)14(8-21)18(24)25/h1-7,14,16H,9H2,(H,24,25)
InChIKeyIPSRZDHLMFNRDU-UHFFFAOYSA-N
XLogP2.82
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The IUPAC name of 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid (CID 10914823) is 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The canonical SMILES for 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid is N#CC(C(=O)O)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21.
What is the InChIKey of 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The InChIKey is IPSRZDHLMFNRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3/c19-11-3-1-10(2-4-11)9-22-15-6-5-12(20)7-13(15)16(17(22)23)14(8-21)18(24)25/h1-7,14,16H,9H2,(H,24,25).
What are the key properties of 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid has a molecular weight of 342.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[5-fluoro-1-[(4-fluorophenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid is sourced from PubChem (CID 10914823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).