2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide

C16H21BrN4O4 — CID 8711569

IUPAC2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Br)CC(=O)N1CCOCC1
InChIInChI=1S/C16H21BrN4O4/c1-20(11-15(23)21-6-8-25-9-7-21)10-14(22)18-19-16(24)12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKeyPXFNUONAGYWFHP-UHFFFAOYSA-N
MW413.27 g/mol
LogP0.00
Rot. Bonds5

About 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide

2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide (PubChem CID 8711569) has the molecular formula C16H21BrN4O4 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide
PubChem CID8711569
Molecular FormulaC16H21BrN4O4
Molecular Weight413.27 g/mol
Exact Mass412.07
IUPAC Name2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Br)CC(=O)N1CCOCC1
InChIInChI=1S/C16H21BrN4O4/c1-20(11-15(23)21-6-8-25-9-7-21)10-14(22)18-19-16(24)12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3,(H,18,22)(H,19,24)
InChIKeyPXFNUONAGYWFHP-UHFFFAOYSA-N
XLogP0.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711533
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411376
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8693276
2-bromo-N'-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]benzohydrazide
CID 24665023
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134041911
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide (CID 8711569) is 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide is CN(CC(=O)NNC(=O)c1ccccc1Br)CC(=O)N1CCOCC1.
What is the InChIKey of 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide?
The InChIKey is PXFNUONAGYWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O4/c1-20(11-15(23)21-6-8-25-9-7-21)10-14(22)18-19-16(24)12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3,(H,18,22)(H,19,24).
What are the key properties of 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide?
2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide has a molecular weight of 413.27 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]benzohydrazide is sourced from PubChem (CID 8711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).