2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide

C15H11ClFN3O — CID 23570787

IUPAC2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11ClFN3O/c16-12-5-9(1-3-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
InChIKeyIUACMCGXVCGWIV-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide

2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide (PubChem CID 23570787) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide
PubChem CID23570787
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C15H11ClFN3O/c16-12-5-9(1-3-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
InChIKeyIUACMCGXVCGWIV-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide (CID 23570787) is 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide is O=C(Cc1ccc(F)c(Cl)c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide?
The InChIKey is IUACMCGXVCGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-12-5-9(1-3-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide?
2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide has a molecular weight of 303.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 23570787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).