N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide

C18H18FN3O — CID 83273805

IUPACN-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCCn1nc(CNC(=O)Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H18FN3O/c1-2-22-17-9-4-3-8-15(17)16(21-22)12-20-18(23)11-13-6-5-7-14(19)10-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyCRTIMWBGTKSSJL-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.05
Rot. Bonds5

About N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide

N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 83273805) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID83273805
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCCn1nc(CNC(=O)Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H18FN3O/c1-2-22-17-9-4-3-8-15(17)16(21-22)12-20-18(23)11-13-6-5-7-14(19)10-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyCRTIMWBGTKSSJL-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide (CID 83273805) is N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide is CCn1nc(CNC(=O)Cc2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is CRTIMWBGTKSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-22-17-9-4-3-8-15(17)16(21-22)12-20-18(23)11-13-6-5-7-14(19)10-13/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 311.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 83273805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).