2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid

C18H15FN2O3 — CID 139691943

IUPAC2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
SMILESCN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOWDWQOBMDAMBEZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid

2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid (PubChem CID 139691943) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
PubChem CID139691943
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
SMILESCN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOWDWQOBMDAMBEZ-UHFFFAOYSA-N
XLogP3.14
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid (CID 139691943) is 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid is CN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The InChIKey is OWDWQOBMDAMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid has a molecular weight of 326.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid is sourced from PubChem (CID 139691943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).