2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid

C26H23FN2O3 — CID 110165419

IUPAC2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCc1ccc2[nH]c(C(=O)N(CCc3ccc(F)cc3)CC(=O)O)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H23FN2O3/c1-17-7-12-22-21(15-17)24(19-5-3-2-4-6-19)25(28-22)26(32)29(16-23(30)31)14-13-18-8-10-20(27)11-9-18/h2-12,15,28H,13-14,16H2,1H3,(H,30,31)
InChIKeyJAKRPVADXACOKR-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.05
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid

2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 110165419) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID110165419
Molecular FormulaC26H23FN2O3
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Name2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCc1ccc2[nH]c(C(=O)N(CCc3ccc(F)cc3)CC(=O)O)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H23FN2O3/c1-17-7-12-22-21(15-17)24(19-5-3-2-4-6-19)25(28-22)26(32)29(16-23(30)31)14-13-18-8-10-20(27)11-9-18/h2-12,15,28H,13-14,16H2,1H3,(H,30,31)
InChIKeyJAKRPVADXACOKR-UHFFFAOYSA-N
XLogP5.05
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-Fluorophenyl)-N,N-dihexyl-1H-indole-3-acetamide
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[3H]Devazepide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid (CID 110165419) is 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid is Cc1ccc2[nH]c(C(=O)N(CCc3ccc(F)cc3)CC(=O)O)c(-c3ccccc3)c2c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is JAKRPVADXACOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-17-7-12-22-21(15-17)24(19-5-3-2-4-6-19)25(28-22)26(32)29(16-23(30)31)14-13-18-8-10-20(27)11-9-18/h2-12,15,28H,13-14,16H2,1H3,(H,30,31).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid?
2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 430.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 110165419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).