2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

C16H13FN2O — CID 57469576

IUPAC2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESNC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-11-7-5-10(6-8-11)16-13(9-15(18)20)12-3-1-2-4-14(12)19-16/h1-8,19H,9H2,(H2,18,20)
InChIKeyVMDAPOWIZJWURP-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.00
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide

2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide (PubChem CID 57469576) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
PubChem CID57469576
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESNC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C16H13FN2O/c17-11-7-5-10(6-8-11)16-13(9-15(18)20)12-3-1-2-4-14(12)19-16/h1-8,19H,9H2,(H2,18,20)
InChIKeyVMDAPOWIZJWURP-UHFFFAOYSA-N
XLogP3.00
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide (CID 57469576) is 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide is NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
The InChIKey is VMDAPOWIZJWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-11-7-5-10(6-8-11)16-13(9-15(18)20)12-3-1-2-4-14(12)19-16/h1-8,19H,9H2,(H2,18,20).
What are the key properties of 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide?
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide has a molecular weight of 268.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 57469576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).