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

C17H16FN3O — CID 4546856

IUPACN-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H16FN3O/c1-12-14-7-3-5-9-16(14)21(20-12)11-17(22)19-10-13-6-2-4-8-15(13)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyRMPIFEQPRIWNCV-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.80
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide (PubChem CID 4546856) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide
PubChem CID4546856
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H16FN3O/c1-12-14-7-3-5-9-16(14)21(20-12)11-17(22)19-10-13-6-2-4-8-15(13)18/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyRMPIFEQPRIWNCV-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide (CID 4546856) is N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide is Cc1nn(CC(=O)NCc2ccccc2F)c2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide?
The InChIKey is RMPIFEQPRIWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-14-7-3-5-9-16(14)21(20-12)11-17(22)19-10-13-6-2-4-8-15(13)18/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(3-methylindazol-1-yl)acetamide is sourced from PubChem (CID 4546856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).