2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide

C19H17FN4O3 — CID 51285952

IUPAC2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide
SMILESCc1cc(NC(=O)COc2ccccc2C(N)=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O3/c1-12-10-17(24(23-12)14-8-6-13(20)7-9-14)22-18(25)11-27-16-5-3-2-4-15(16)19(21)26/h2-10H,11H2,1H3,(H2,21,26)(H,22,25)
InChIKeyVMYCEYHZSHBSEW-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide

2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 51285952) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide
PubChem CID51285952
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide
SMILESCc1cc(NC(=O)COc2ccccc2C(N)=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN4O3/c1-12-10-17(24(23-12)14-8-6-13(20)7-9-14)22-18(25)11-27-16-5-3-2-4-15(16)19(21)26/h2-10H,11H2,1H3,(H2,21,26)(H,22,25)
InChIKeyVMYCEYHZSHBSEW-UHFFFAOYSA-N
XLogP2.44
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide (CID 51285952) is 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide is Cc1cc(NC(=O)COc2ccccc2C(N)=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is VMYCEYHZSHBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12-10-17(24(23-12)14-8-6-13(20)7-9-14)22-18(25)11-27-16-5-3-2-4-15(16)19(21)26/h2-10H,11H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide?
2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 368.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 51285952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).