2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid

C19H17ClFNO2 — CID 11221685

IUPAC2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(C)c2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C19H17ClFNO2/c1-11(13-3-5-14(20)6-4-13)19-12(2)22(10-18(23)24)17-8-7-15(21)9-16(17)19/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyBHEFOTSBJZWUIS-UHFFFAOYSA-N
MW345.80 g/mol
LogP4.98
Rot. Bonds4

About 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid

2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid (PubChem CID 11221685) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid
PubChem CID11221685
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(C)c2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C19H17ClFNO2/c1-11(13-3-5-14(20)6-4-13)19-12(2)22(10-18(23)24)17-8-7-15(21)9-16(17)19/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyBHEFOTSBJZWUIS-UHFFFAOYSA-N
XLogP4.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-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-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid (CID 11221685) is 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid is Cc1c(C(C)c2ccc(Cl)cc2)c2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
The InChIKey is BHEFOTSBJZWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c1-11(13-3-5-14(20)6-4-13)19-12(2)22(10-18(23)24)17-8-7-15(21)9-16(17)19/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid?
2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid has a molecular weight of 345.80 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-chlorophenyl)ethyl]-5-fluoro-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11221685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).