2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide

C16H13F2N3O2 — CID 75397988

IUPAC2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide
SMILESCc1[nH]nc2cc(NC(=O)COc3ccc(F)cc3F)ccc12
InChIInChI=1S/C16H13F2N3O2/c1-9-12-4-3-11(7-14(12)21-20-9)19-16(22)8-23-15-5-2-10(17)6-13(15)18/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyKCTFVPYFPRICED-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.17
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide

2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide (PubChem CID 75397988) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide
PubChem CID75397988
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide
SMILESCc1[nH]nc2cc(NC(=O)COc3ccc(F)cc3F)ccc12
InChIInChI=1S/C16H13F2N3O2/c1-9-12-4-3-11(7-14(12)21-20-9)19-16(22)8-23-15-5-2-10(17)6-13(15)18/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyKCTFVPYFPRICED-UHFFFAOYSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2,4-difluorophenoxy)acetamide
CID 55969597
N-(3-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 17173171
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
2-(2,4-difluorophenoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 17250313
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60967966
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methyl-2H-indazol-6-yl)pyridine-3-carboxamide
CID 75397989
ethane;6-fluoro-3-methyl-2H-indazole
CID 145099326
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide (CID 75397988) is 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide is Cc1[nH]nc2cc(NC(=O)COc3ccc(F)cc3F)ccc12.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide?
The InChIKey is KCTFVPYFPRICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-9-12-4-3-11(7-14(12)21-20-9)19-16(22)8-23-15-5-2-10(17)6-13(15)18/h2-7H,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide?
2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide has a molecular weight of 317.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(3-methyl-2H-indazol-6-yl)acetamide is sourced from PubChem (CID 75397988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).