4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C25H22N4O3 — CID 46468293

IUPAC4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1)n1cccn1
InChIInChI=1S/C25H22N4O3/c1-18(29-16-6-15-26-29)24(30)27-20-7-5-8-21(17-20)28-25(31)19-11-13-23(14-12-19)32-22-9-3-2-4-10-22/h2-18H,1H3,(H,27,30)(H,28,31)
InChIKeyOFZWDXMUOUCLGQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.13
Rot. Bonds7

About 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 46468293) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID46468293
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCC(C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1)n1cccn1
InChIInChI=1S/C25H22N4O3/c1-18(29-16-6-15-26-29)24(30)27-20-7-5-8-21(17-20)28-25(31)19-11-13-23(14-12-19)32-22-9-3-2-4-10-22/h2-18H,1H3,(H,27,30)(H,28,31)
InChIKeyOFZWDXMUOUCLGQ-UHFFFAOYSA-N
XLogP5.13
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 46468293) is 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is CC(C(=O)Nc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1)n1cccn1.
What is the InChIKey of 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is OFZWDXMUOUCLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-18(29-16-6-15-26-29)24(30)27-20-7-5-8-21(17-20)28-25(31)19-11-13-23(14-12-19)32-22-9-3-2-4-10-22/h2-18H,1H3,(H,27,30)(H,28,31).
What are the key properties of 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 46468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).