2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

C19H21BrN2O2 — CID 24685244

IUPAC2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-14(11-12-15-7-3-2-4-8-15)22-18(23)13-21-19(24)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPEFOPMAWDODAI-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.32
Rot. Bonds7

About 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (PubChem CID 24685244) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
PubChem CID24685244
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-14(11-12-15-7-3-2-4-8-15)22-18(23)13-21-19(24)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyXPEFOPMAWDODAI-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (CID 24685244) is 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is CC(CCc1ccccc1)NC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The InChIKey is XPEFOPMAWDODAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(11-12-15-7-3-2-4-8-15)22-18(23)13-21-19(24)16-9-5-6-10-17(16)20/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 24685244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).