4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide

C17H22BrN3O4 — CID 9225825

IUPAC4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O4/c1-20(12-16(23)21-8-10-25-11-9-21)15(22)6-7-19-17(24)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,24)
InChIKeyPYJFFVCXIIOCGB-UHFFFAOYSA-N
MW412.28 g/mol
LogP0.89
Rot. Bonds6

About 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide (PubChem CID 9225825) has the molecular formula C17H22BrN3O4 and a molecular weight of 412.28 g/mol. Its IUPAC name is 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide
PubChem CID9225825
Molecular FormulaC17H22BrN3O4
Molecular Weight412.28 g/mol
Exact Mass411.08
IUPAC Name4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide
SMILESCN(CC(=O)N1CCOCC1)C(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O4/c1-20(12-16(23)21-8-10-25-11-9-21)15(22)6-7-19-17(24)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,24)
InChIKeyPYJFFVCXIIOCGB-UHFFFAOYSA-N
XLogP0.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
4-bromo-N-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 46653083
3-bromo-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115670843
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-bromo-N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-oxopropyl]benzamide
CID 26714808
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
CID 35326995
2-(4-bromophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712388
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide (CID 9225825) is 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide is CN(CC(=O)N1CCOCC1)C(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is PYJFFVCXIIOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O4/c1-20(12-16(23)21-8-10-25-11-9-21)15(22)6-7-19-17(24)13-2-4-14(18)5-3-13/h2-5H,6-12H2,1H3,(H,19,24).
What are the key properties of 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 412.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).