N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide

C17H14BrN3O2 — CID 22511754

IUPACN-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Br)oc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C17H14BrN3O2/c1-9-14-13(7-6-10-8-19-21-15(10)14)23-16(9)17(22)20-12-5-3-2-4-11(12)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyDXCKFGBGDHQUOU-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.09
Rot. Bonds2

About N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide

N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide (PubChem CID 22511754) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
PubChem CID22511754
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Br)oc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C17H14BrN3O2/c1-9-14-13(7-6-10-8-19-21-15(10)14)23-16(9)17(22)20-12-5-3-2-4-11(12)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyDXCKFGBGDHQUOU-UHFFFAOYSA-N
XLogP4.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide (CID 22511754) is N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)Nc2ccccc2Br)oc2c1-c1[nH]ncc1CC2.
What is the InChIKey of N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
The InChIKey is DXCKFGBGDHQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-9-14-13(7-6-10-8-19-21-15(10)14)23-16(9)17(22)20-12-5-3-2-4-11(12)18/h2-5,8H,6-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide?
N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-8-methyl-4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22511754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).