5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C21H20FN5O3 — CID 60567572

IUPAC5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1
InChIInChI=1S/C21H20FN5O3/c1-13(27-10-4-9-23-27)20(29)25-15-5-3-6-16(11-15)26-21(30)18-12-17(24-14(2)28)7-8-19(18)22/h3-13H,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyHJSLEDBISYKRMJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.43
Rot. Bonds6

About 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 60567572) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID60567572
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1
InChIInChI=1S/C21H20FN5O3/c1-13(27-10-4-9-23-27)20(29)25-15-5-3-6-16(11-15)26-21(30)18-12-17(24-14(2)28)7-8-19(18)22/h3-13H,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKeyHJSLEDBISYKRMJ-UHFFFAOYSA-N
XLogP3.43
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 60567572) is 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is HJSLEDBISYKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-13(27-10-4-9-23-27)20(29)25-15-5-3-6-16(11-15)26-21(30)18-12-17(24-14(2)28)7-8-19(18)22/h3-13H,1-2H3,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 409.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 60567572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).