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

C11H10BrFN4O — CID 62816464

IUPAC5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(N)c(F)cc2Br)cn1
InChIInChI=1S/C11H10BrFN4O/c1-17-5-6(4-15-17)16-11(18)7-2-10(14)9(13)3-8(7)12/h2-5H,14H2,1H3,(H,16,18)
InChIKeyTUAXCBZNVHMORI-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.16
Rot. Bonds2

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

5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 62816464) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID62816464
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cc(N)c(F)cc2Br)cn1
InChIInChI=1S/C11H10BrFN4O/c1-17-5-6(4-15-17)16-11(18)7-2-10(14)9(13)3-8(7)12/h2-5H,14H2,1H3,(H,16,18)
InChIKeyTUAXCBZNVHMORI-UHFFFAOYSA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
5-amino-2-bromo-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62831072
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
5-amino-2-bromo-4-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62815928
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide (CID 62816464) is 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cc(N)c(F)cc2Br)cn1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is TUAXCBZNVHMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-17-5-6(4-15-17)16-11(18)7-2-10(14)9(13)3-8(7)12/h2-5H,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 313.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 62816464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).