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

C16H13ClFN3O — CID 22510045

IUPAC2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1ncc2c(Cl)cccc21)NCc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O/c17-14-2-1-3-15-13(14)9-20-21(15)10-16(22)19-8-11-4-6-12(18)7-5-11/h1-7,9H,8,10H2,(H,19,22)
InChIKeyDKBUQFPNARXPTR-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.15
Rot. Bonds4

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

2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 22510045) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID22510045
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1ncc2c(Cl)cccc21)NCc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O/c17-14-2-1-3-15-13(14)9-20-21(15)10-16(22)19-8-11-4-6-12(18)7-5-11/h1-7,9H,8,10H2,(H,19,22)
InChIKeyDKBUQFPNARXPTR-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroindazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 6625503
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238
N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
2-(4-chloroindazol-1-yl)-N-cyclopentylacetamide
CID 22510062
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 22510045) is 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1ncc2c(Cl)cccc21)NCc1ccc(F)cc1.
What is the InChIKey of 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is DKBUQFPNARXPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-14-2-1-3-15-13(14)9-20-21(15)10-16(22)19-8-11-4-6-12(18)7-5-11/h1-7,9H,8,10H2,(H,19,22).
What are the key properties of 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 317.75 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 22510045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).