acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide

C18H17Cl2F2N5O2 — CID 170610069

IUPACacetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide
SMILESCC(N)=O.O=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCC1)C(F)F
InChIInChI=1S/C16H12Cl2F2N4O.C2H5NO/c17-8-4-9(23-16(25)15(19)20)12-11(7-5-21-22-6-7)10-2-1-3-24(10)14(12)13(8)18;1-2(3)4/h4-6,15H,1-3H2,(H,21,22)(H,23,25);1H3,(H2,3,4)
InChIKeyXETBLFQTVNCGRE-UHFFFAOYSA-N
MW444.27 g/mol
LogP3.98
Rot. Bonds3

About acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide

acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide (PubChem CID 170610069) has the molecular formula C18H17Cl2F2N5O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound Nameacetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide
PubChem CID170610069
Molecular FormulaC18H17Cl2F2N5O2
Molecular Weight444.27 g/mol
Exact Mass443.07
IUPAC Nameacetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide
SMILESCC(N)=O.O=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCC1)C(F)F
InChIInChI=1S/C16H12Cl2F2N4O.C2H5NO/c17-8-4-9(23-16(25)15(19)20)12-11(7-5-21-22-6-7)10-2-1-3-24(10)14(12)13(8)18;1-2(3)4/h4-6,15H,1-3H2,(H,21,22)(H,23,25);1H3,(H2,3,4)
InChIKeyXETBLFQTVNCGRE-UHFFFAOYSA-N
XLogP3.98
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide with MolForge

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Related Compounds

US20230391786, Example 274
CID 170426644
US20230391786, Example 273
CID 170426661
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

Frequently Asked Questions

What is the IUPAC name of acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide?
The IUPAC name of acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide (CID 170610069) is acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide.
What is the SMILES notation for acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide?
The canonical SMILES for acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide is CC(N)=O.O=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCC1)C(F)F.
What is the InChIKey of acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide?
The InChIKey is XETBLFQTVNCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N4O.C2H5NO/c17-8-4-9(23-16(25)15(19)20)12-11(7-5-21-22-6-7)10-2-1-3-24(10)14(12)13(8)18;1-2(3)4/h4-6,15H,1-3H2,(H,21,22)(H,23,25);1H3,(H2,3,4).
What are the key properties of acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide?
acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide has a molecular weight of 444.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170610069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).