2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide

C20H14F2N4OSe — CID 56942234

IUPAC2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27)
InChIKeyABSMVSLPEWAQFP-UHFFFAOYSA-N
MW443.32 g/mol
LogP3.74
Rot. Bonds4

About 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide

2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide (PubChem CID 56942234) has the molecular formula C20H14F2N4OSe and a molecular weight of 443.32 g/mol. Its IUPAC name is 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide
PubChem CID56942234
Molecular FormulaC20H14F2N4OSe
Molecular Weight443.32 g/mol
Exact Mass444.03
IUPAC Name2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide
SMILESCn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1
InChIInChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27)
InChIKeyABSMVSLPEWAQFP-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707946
N-[5-(3-Pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyrimidin-2-yl]-benzamide
CID 52940693
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 155060221
[4-(3,5-dimethylpyrazolyl)phenyl]-N-(2-pyridyl)carboxamide
CID 663966
4-fluoro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707949
3-(4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide
CID 2999040
4-fluoro-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 5193716
N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-2-yl)benzamide
CID 50899467
5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 71580121
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 71580122
5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580229
N-(2-chloropyrimidin-4-yl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580235

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide (CID 56942234) is 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide is Cn1nc(-c2ccccc2F)cc1-c1cnc(NC(=O)c2ccccc2F)[se]1.
What is the InChIKey of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide?
The InChIKey is ABSMVSLPEWAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OSe/c1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)18-11-23-20(28-18)24-19(27)13-7-3-5-9-15(13)22/h2-11H,1H3,(H,23,24,27).
What are the key properties of 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide?
2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide has a molecular weight of 443.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-selenazol-2-yl]benzamide is sourced from PubChem (CID 56942234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).