2-bromo-N-(1H-indazol-5-yl)benzamide

C14H10BrN3O — CID 6466657

IUPAC2-bromo-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)17-10-5-6-13-9(7-10)8-16-18-13/h1-8H,(H,16,18)(H,17,19)
InChIKeyUPKYAWKIJHXNQA-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.58
Rot. Bonds2

About 2-bromo-N-(1H-indazol-5-yl)benzamide

2-bromo-N-(1H-indazol-5-yl)benzamide (PubChem CID 6466657) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-bromo-N-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1H-indazol-5-yl)benzamide
PubChem CID6466657
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-bromo-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)17-10-5-6-13-9(7-10)8-16-18-13/h1-8H,(H,16,18)(H,17,19)
InChIKeyUPKYAWKIJHXNQA-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Rhodblock 6
CID 6466029
N-(1H-indazol-5-yl)benzamide
CID 2389948
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
3-fluoro-N-(1H-indazol-5-yl)benzamide
CID 6466450
4-fluoro-N-(1H-indazol-5-yl)benzamide
CID 17148682
N-(1H-indazol-5-yl)-2-phenylacetamide
CID 4412719
2-(4-bromophenyl)-N-(1H-indazol-5-yl)acetamide
CID 6466581
1-benzoyl-3-(1H-indazol-5-yl)thiourea
CID 849675
N-(1H-indazol-5-yl)cyclohexanecarboxamide
CID 3523119
1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4-bromophenyl)ethanone
CID 16662108
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
2-cyclohexyl-N-(1H-indazol-5-yl)acetamide
CID 23570811

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-indazol-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(1H-indazol-5-yl)benzamide (CID 6466657) is 2-bromo-N-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1H-indazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1H-indazol-5-yl)benzamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1H-indazol-5-yl)benzamide?
The InChIKey is UPKYAWKIJHXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)17-10-5-6-13-9(7-10)8-16-18-13/h1-8H,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-N-(1H-indazol-5-yl)benzamide?
2-bromo-N-(1H-indazol-5-yl)benzamide has a molecular weight of 316.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 6466657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).