2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H13F3N4O — CID 22693387

IUPAC2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNc1ccc2cnn(CC(=O)Nc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)12-3-1-2-4-13(12)22-15(24)9-23-14-7-11(20)6-5-10(14)8-21-23/h1-8H,9,20H2,(H,22,24)
InChIKeyBOJCJYLAQLZCAG-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.28
Rot. Bonds3

About 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22693387) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22693387
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNc1ccc2cnn(CC(=O)Nc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)12-3-1-2-4-13(12)22-15(24)9-23-14-7-11(20)6-5-10(14)8-21-23/h1-8H,9,20H2,(H,22,24)
InChIKeyBOJCJYLAQLZCAG-UHFFFAOYSA-N
XLogP3.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
2-(4-aminotriazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520689
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-(6-aminoindazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 22693446
2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 22693487
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-[2-(trifluoromethyl)phenyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 71802545
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
ethyl 2-[[2-(6-aminoindazol-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 22693350
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22693387) is 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is Nc1ccc2cnn(CC(=O)Nc3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BOJCJYLAQLZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)12-3-1-2-4-13(12)22-15(24)9-23-14-7-11(20)6-5-10(14)8-21-23/h1-8H,9,20H2,(H,22,24).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22693387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).