2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide

C16H12F2N2O2 — CID 18570776

IUPAC2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C16H12F2N2O2/c1-20-13-6-5-10(7-9(13)8-14(20)21)19-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyZOCMRODZMLPHBK-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.74
Rot. Bonds2

About 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide

2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide (PubChem CID 18570776) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
PubChem CID18570776
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C16H12F2N2O2/c1-20-13-6-5-10(7-9(13)8-14(20)21)19-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyZOCMRODZMLPHBK-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide (CID 18570776) is 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide is CN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3F)ccc21.
What is the InChIKey of 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The InChIKey is ZOCMRODZMLPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-20-13-6-5-10(7-9(13)8-14(20)21)19-16(22)15-11(17)3-2-4-12(15)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide has a molecular weight of 302.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide is sourced from PubChem (CID 18570776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).