2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C17H14F3N3O — CID 22509827

IUPAC2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H14F3N3O/c1-11-12-6-2-5-9-15(12)23(22-11)10-16(24)21-14-8-4-3-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyBWEYWSWRLPDHHQ-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.00
Rot. Bonds3

About 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22509827) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22509827
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12
InChIInChI=1S/C17H14F3N3O/c1-11-12-6-2-5-9-15(12)23(22-11)10-16(24)21-14-8-4-3-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24)
InChIKeyBWEYWSWRLPDHHQ-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22509827) is 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BWEYWSWRLPDHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-11-12-6-2-5-9-15(12)23(22-11)10-16(24)21-14-8-4-3-7-13(14)17(18,19)20/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22509827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).