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

C20H19FN4O2 — CID 42959593

IUPAC3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-13-7-8-15(11-18(13)21)20(27)24-17-6-3-5-16(12-17)23-19(26)14(2)25-10-4-9-22-25/h3-12,14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyXCGGKUONHQPUAC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.78
Rot. Bonds5

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

3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 42959593) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID42959593
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc1F
InChIInChI=1S/C20H19FN4O2/c1-13-7-8-15(11-18(13)21)20(27)24-17-6-3-5-16(12-17)23-19(26)14(2)25-10-4-9-22-25/h3-12,14H,1-2H3,(H,23,26)(H,24,27)
InChIKeyXCGGKUONHQPUAC-UHFFFAOYSA-N
XLogP3.78
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572
5-bromo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 43068703
3,4,5-trimethoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427808
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 42959593) is 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is XCGGKUONHQPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-7-8-15(11-18(13)21)20(27)24-17-6-3-5-16(12-17)23-19(26)14(2)25-10-4-9-22-25/h3-12,14H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 366.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 42959593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).