N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide

C13H8Cl2F2N4O — CID 170427560

IUPACN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C13H8Cl2F2N4O/c14-7-1-8(21-13(22)12(16)17)9-6(5-2-19-20-3-5)4-18-11(9)10(7)15/h1-4,12,18H,(H,19,20)(H,21,22)
InChIKeyRGFFLYXVLOZKCQ-UHFFFAOYSA-N
MW345.14 g/mol
LogP4.07
Rot. Bonds3

About N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide

N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (PubChem CID 170427560) has the molecular formula C13H8Cl2F2N4O and a molecular weight of 345.14 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
PubChem CID170427560
Molecular FormulaC13H8Cl2F2N4O
Molecular Weight345.14 g/mol
Exact Mass344.00
IUPAC NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C13H8Cl2F2N4O/c14-7-1-8(21-13(22)12(16)17)9-6(5-2-19-20-3-5)4-18-11(9)10(7)15/h1-4,12,18H,(H,19,20)(H,21,22)
InChIKeyRGFFLYXVLOZKCQ-UHFFFAOYSA-N
XLogP4.07
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

US20230391786, Example 274
CID 170426644
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (CID 170427560) is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12)C(F)F.
What is the InChIKey of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The InChIKey is RGFFLYXVLOZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N4O/c14-7-1-8(21-13(22)12(16)17)9-6(5-2-19-20-3-5)4-18-11(9)10(7)15/h1-4,12,18H,(H,19,20)(H,21,22).
What are the key properties of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide has a molecular weight of 345.14 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).