methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate

C16H12FN3O3 — CID 24968122

IUPACmethyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H12FN3O3/c1-23-16(22)9-2-4-12(5-3-9)20-8-10-6-11(17)7-13(15(18)21)14(10)19-20/h2-8H,1H3,(H2,18,21)
InChIKeyGFSKWFFROWGJOE-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.05
Rot. Bonds3

About methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate

methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate (PubChem CID 24968122) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate
PubChem CID24968122
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Namemethyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H12FN3O3/c1-23-16(22)9-2-4-12(5-3-9)20-8-10-6-11(17)7-13(15(18)21)14(10)19-20/h2-8H,1H3,(H2,18,21)
InChIKeyGFSKWFFROWGJOE-UHFFFAOYSA-N
XLogP2.05
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate?
The IUPAC name of methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate (CID 24968122) is methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate is COC(=O)c1ccc(-n2cc3cc(F)cc(C(N)=O)c3n2)cc1.
What is the InChIKey of methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate?
The InChIKey is GFSKWFFROWGJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-23-16(22)9-2-4-12(5-3-9)20-8-10-6-11(17)7-13(15(18)21)14(10)19-20/h2-8H,1H3,(H2,18,21).
What are the key properties of methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate?
methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate has a molecular weight of 313.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-carbamoyl-5-fluoroindazol-2-yl)benzoate is sourced from PubChem (CID 24968122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).