4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide

C18H15BrN4O2 — CID 55980228

IUPAC4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15BrN4O2/c19-14-4-2-13(3-5-14)18(25)20-12-17(24)22-15-6-8-16(9-7-15)23-11-1-10-21-23/h1-11H,12H2,(H,20,25)(H,22,24)
InChIKeyRCUGMGOYKBQUOY-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide

4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide (PubChem CID 55980228) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
PubChem CID55980228
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H15BrN4O2/c19-14-4-2-13(3-5-14)18(25)20-12-17(24)22-15-6-8-16(9-7-15)23-11-1-10-21-23/h1-11H,12H2,(H,20,25)(H,22,24)
InChIKeyRCUGMGOYKBQUOY-UHFFFAOYSA-N
XLogP3.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 120562017
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 112823910
3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412794
1-(4-bromophenyl)pyrazole
CID 10443564

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide (CID 55980228) is 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The InChIKey is RCUGMGOYKBQUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c19-14-4-2-13(3-5-14)18(25)20-12-17(24)22-15-6-8-16(9-7-15)23-11-1-10-21-23/h1-11H,12H2,(H,20,25)(H,22,24).
What are the key properties of 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide has a molecular weight of 399.25 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 55980228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).