2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide

C19H20FN3O — CID 53164032

IUPAC2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide
SMILESCCCn1nc(CNC(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H20FN3O/c1-2-11-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)12-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyOKVCTXZEPWCDIE-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide (PubChem CID 53164032) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide
PubChem CID53164032
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide
SMILESCCCn1nc(CNC(=O)Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H20FN3O/c1-2-11-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)12-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyOKVCTXZEPWCDIE-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.44
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 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide (CID 53164032) is 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide is CCCn1nc(CNC(=O)Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide?
The InChIKey is OKVCTXZEPWCDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-2-11-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)12-14-7-9-15(20)10-8-14/h3-10H,2,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-propylindazol-3-yl)methyl]acetamide is sourced from PubChem (CID 53164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).