2-(5,6-difluoro-7H-indol-3-yl)acetamide

C10H8F2N2O — CID 67232622

IUPAC2-(5,6-difluoro-7H-indol-3-yl)acetamide
SMILESNC(=O)CC1=CN=C2CC(F)=C(F)C=C12
InChIInChI=1S/C10H8F2N2O/c11-7-2-6-5(1-10(13)15)4-14-9(6)3-8(7)12/h2,4H,1,3H2,(H2,13,15)
InChIKeySHCVVMBCWFUQJM-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.68
Rot. Bonds2

About 2-(5,6-difluoro-7H-indol-3-yl)acetamide

2-(5,6-difluoro-7H-indol-3-yl)acetamide (PubChem CID 67232622) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(5,6-difluoro-7H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-difluoro-7H-indol-3-yl)acetamide
PubChem CID67232622
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2-(5,6-difluoro-7H-indol-3-yl)acetamide
SMILESNC(=O)CC1=CN=C2CC(F)=C(F)C=C12
InChIInChI=1S/C10H8F2N2O/c11-7-2-6-5(1-10(13)15)4-14-9(6)3-8(7)12/h2,4H,1,3H2,(H2,13,15)
InChIKeySHCVVMBCWFUQJM-UHFFFAOYSA-N
XLogP1.68
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-7H-indol-3-yl)acetamide?
The IUPAC name of 2-(5,6-difluoro-7H-indol-3-yl)acetamide (CID 67232622) is 2-(5,6-difluoro-7H-indol-3-yl)acetamide.
What is the SMILES notation for 2-(5,6-difluoro-7H-indol-3-yl)acetamide?
The canonical SMILES for 2-(5,6-difluoro-7H-indol-3-yl)acetamide is NC(=O)CC1=CN=C2CC(F)=C(F)C=C12.
What is the InChIKey of 2-(5,6-difluoro-7H-indol-3-yl)acetamide?
The InChIKey is SHCVVMBCWFUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-7-2-6-5(1-10(13)15)4-14-9(6)3-8(7)12/h2,4H,1,3H2,(H2,13,15).
What are the key properties of 2-(5,6-difluoro-7H-indol-3-yl)acetamide?
2-(5,6-difluoro-7H-indol-3-yl)acetamide has a molecular weight of 210.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-7H-indol-3-yl)acetamide is sourced from PubChem (CID 67232622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).