5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide

C10H8BrFN4O — CID 62815610

IUPAC5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESNc1cc(C(=O)Nc2ccn[nH]2)c(Br)cc1F
InChIInChI=1S/C10H8BrFN4O/c11-6-4-7(12)8(13)3-5(6)10(17)15-9-1-2-14-16-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyAXNLLQZACPZQBO-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.15
Rot. Bonds2

About 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide

5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 62815610) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
PubChem CID62815610
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESNc1cc(C(=O)Nc2ccn[nH]2)c(Br)cc1F
InChIInChI=1S/C10H8BrFN4O/c11-6-4-7(12)8(13)3-5(6)10(17)15-9-1-2-14-16-9/h1-4H,13H2,(H2,14,15,16,17)
InChIKeyAXNLLQZACPZQBO-UHFFFAOYSA-N
XLogP2.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796
5-amino-2-bromo-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62831072
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide (CID 62815610) is 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide is Nc1cc(C(=O)Nc2ccn[nH]2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is AXNLLQZACPZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c11-6-4-7(12)8(13)3-5(6)10(17)15-9-1-2-14-16-9/h1-4H,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 299.10 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 62815610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).