N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide

C15H11BrN4O2 — CID 108530119

IUPACN'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H11BrN4O2/c16-11-3-1-2-4-12(11)19-15(22)14(21)18-10-6-5-9-8-17-20-13(9)7-10/h1-8H,(H,17,20)(H,18,21)(H,19,22)
InChIKeyJUGDARVBGIFMFF-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.90
Rot. Bonds2

About N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide

N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide (PubChem CID 108530119) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
PubChem CID108530119
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC NameN'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H11BrN4O2/c16-11-3-1-2-4-12(11)19-15(22)14(21)18-10-6-5-9-8-17-20-13(9)7-10/h1-8H,(H,17,20)(H,18,21)(H,19,22)
InChIKeyJUGDARVBGIFMFF-UHFFFAOYSA-N
XLogP2.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
CID 108530108
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
CID 108905169
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
CID 108530089

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide (CID 108530119) is N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide is O=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide?
The InChIKey is JUGDARVBGIFMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-11-3-1-2-4-12(11)19-15(22)14(21)18-10-6-5-9-8-17-20-13(9)7-10/h1-8H,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide?
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide has a molecular weight of 359.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108530119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).