3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide

C20H19BrN4O2 — CID 41412794

IUPAC3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-17-4-1-3-16(13-17)20(27)23-14-19(26)22-11-9-15-5-7-18(8-6-15)25-12-2-10-24-25/h1-8,10,12-13H,9,11,14H2,(H,22,26)(H,23,27)
InChIKeyMXLUUDOLIOTTNT-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.72
Rot. Bonds7

About 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide

3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide (PubChem CID 41412794) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
PubChem CID41412794
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-17-4-1-3-16(13-17)20(27)23-14-19(26)22-11-9-15-5-7-18(8-6-15)25-12-2-10-24-25/h1-8,10,12-13H,9,11,14H2,(H,22,26)(H,23,27)
InChIKeyMXLUUDOLIOTTNT-UHFFFAOYSA-N
XLogP2.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide (CID 41412794) is 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The InChIKey is MXLUUDOLIOTTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-17-4-1-3-16(13-17)20(27)23-14-19(26)22-11-9-15-5-7-18(8-6-15)25-12-2-10-24-25/h1-8,10,12-13H,9,11,14H2,(H,22,26)(H,23,27).
What are the key properties of 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide has a molecular weight of 427.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 41412794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).