N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide

C15H18Cl2N4O2 — CID 170795233

IUPACN-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide
SMILESCn1c(CNC(=O)CO)c(C2CNNC2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H18Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-3,8,19-20,22H,4-7H2,1H3,(H,18,23)
InChIKeyHVJNNVAPCRUVNY-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.28
Rot. Bonds4

About N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide

N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide (PubChem CID 170795233) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide
PubChem CID170795233
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC NameN-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide
SMILESCn1c(CNC(=O)CO)c(C2CNNC2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H18Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-3,8,19-20,22H,4-7H2,1H3,(H,18,23)
InChIKeyHVJNNVAPCRUVNY-UHFFFAOYSA-N
XLogP1.28
TPSA78.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

US20230391786, Example 154
CID 170426540
US20230391786, Example 148
CID 170426654
US20230391786, Example 168
CID 170426805
US20230391786, Example 162
CID 170426887
US20230391786, Example 53
CID 170427189
US20230391786, Example 179
CID 170427240
US20230391786, Example 146
CID 170427378
US20230391786, Example 167
CID 170427578
US20230391786, Example 95
CID 170427781
US20230391786, Example 189
CID 170427963
US20230391786, Example 116
CID 170795225
US20230391786, Example 237
CID 170795260

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide?
The IUPAC name of N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide (CID 170795233) is N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide is Cn1c(CNC(=O)CO)c(C2CNNC2)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide?
The InChIKey is HVJNNVAPCRUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O2/c1-21-11(6-18-12(23)7-22)13(8-4-19-20-5-8)9-2-3-10(16)14(17)15(9)21/h2-3,8,19-20,22H,4-7H2,1H3,(H,18,23).
What are the key properties of N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide?
N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide has a molecular weight of 357.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dichloro-1-methyl-3-pyrazolidin-4-ylindol-2-yl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 170795233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).