2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C18H15F2N3O — CID 146122367

IUPAC2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1F
InChIInChI=1S/C18H15F2N3O/c19-16-8-4-7-15(17(16)20)18(24)21-10-9-13-11-22-23(12-13)14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,24)
InChIKeyGLRFCJFONRWPDW-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.12
Rot. Bonds5

About 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 146122367) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID146122367
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1F
InChIInChI=1S/C18H15F2N3O/c19-16-8-4-7-15(17(16)20)18(24)21-10-9-13-11-22-23(12-13)14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,24)
InChIKeyGLRFCJFONRWPDW-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[4-oxo-4-[2-(1-phenylpyrazol-4-yl)ethylamino]butyl]benzamide
CID 134000738
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 16613868
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55504936
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 146122367) is 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is GLRFCJFONRWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-16-8-4-7-15(17(16)20)18(24)21-10-9-13-11-22-23(12-13)14-5-2-1-3-6-14/h1-8,11-12H,9-10H2,(H,21,24).
What are the key properties of 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 146122367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).