N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide

C20H23FN4O — CID 56837420

IUPACN-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide
SMILESCN(C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H23FN4O/c1-24(2)12-6-11-22-19(26)14-25-18-10-4-3-9-17(18)20(23-25)15-7-5-8-16(21)13-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,26)
InChIKeyXIFLODDZTOJMOK-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.91
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide

N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide (PubChem CID 56837420) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide
PubChem CID56837420
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide
SMILESCN(C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C20H23FN4O/c1-24(2)12-6-11-22-19(26)14-25-18-10-4-3-9-17(18)20(23-25)15-7-5-8-16(21)13-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,26)
InChIKeyXIFLODDZTOJMOK-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide (CID 56837420) is N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide is CN(C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide?
The InChIKey is XIFLODDZTOJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-24(2)12-6-11-22-19(26)14-25-18-10-4-3-9-17(18)20(23-25)15-7-5-8-16(21)13-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide?
N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[3-(3-fluorophenyl)indazol-1-yl]acetamide is sourced from PubChem (CID 56837420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).