[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate

C15H11BrFN3O2 — CID 175278978

IUPAC[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate
SMILESNC(=O)Oc1cc(Br)c2cn(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H11BrFN3O2/c16-13-5-11(22-15(18)21)6-14-12(13)8-20(19-14)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUTTBQSIBGBBBSN-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.44
Rot. Bonds3

About [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate

[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate (PubChem CID 175278978) has the molecular formula C15H11BrFN3O2 and a molecular weight of 364.17 g/mol. Its IUPAC name is [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate.

Molecular Properties

Compound Name[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate
PubChem CID175278978
Molecular FormulaC15H11BrFN3O2
Molecular Weight364.17 g/mol
Exact Mass363.00
IUPAC Name[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate
SMILESNC(=O)Oc1cc(Br)c2cn(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H11BrFN3O2/c16-13-5-11(22-15(18)21)6-14-12(13)8-20(19-14)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21)
InChIKeyUTTBQSIBGBBBSN-UHFFFAOYSA-N
XLogP3.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate?
The IUPAC name of [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate (CID 175278978) is [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate.
What is the SMILES notation for [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate?
The canonical SMILES for [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate is NC(=O)Oc1cc(Br)c2cn(Cc3ccc(F)cc3)nc2c1.
What is the InChIKey of [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate?
The InChIKey is UTTBQSIBGBBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O2/c16-13-5-11(22-15(18)21)6-14-12(13)8-20(19-14)7-9-1-3-10(17)4-2-9/h1-6,8H,7H2,(H2,18,21).
What are the key properties of [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate?
[4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate has a molecular weight of 364.17 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate is sourced from PubChem (CID 175278978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).