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

C22H18FN3O — CID 3441862

IUPACN-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-12-10-16(11-13-18)14-24-21(27)15-26-20-9-5-4-8-19(20)22(25-26)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27)
InChIKeyNOLKUDLQDPFRBK-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.16
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide (PubChem CID 3441862) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
PubChem CID3441862
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-12-10-16(11-13-18)14-24-21(27)15-26-20-9-5-4-8-19(20)22(25-26)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27)
InChIKeyNOLKUDLQDPFRBK-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 22510045
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 20877615
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
CID 20877585
N-[(4-fluorophenyl)methyl]-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840042
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-[(4-fluorophenyl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920407
N-[(4-fluorophenyl)methyl]-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177904
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 22575910

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide (CID 3441862) is N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
The InChIKey is NOLKUDLQDPFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-18-12-10-16(11-13-18)14-24-21(27)15-26-20-9-5-4-8-19(20)22(25-26)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide has a molecular weight of 359.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 3441862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).