[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

C15H22BrN4O3+ — CID 9289290

IUPAC[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H21BrN4O3/c1-3-8-17-13(21)9-20(2)10-14(22)18-19-15(23)11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)/p+1
InChIKeyYPXSKZFZDHZGRZ-UHFFFAOYSA-O
MW386.27 g/mol
LogP-0.75
Rot. Bonds7

About [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 9289290) has the molecular formula C15H22BrN4O3+ and a molecular weight of 386.27 g/mol. Its IUPAC name is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID9289290
Molecular FormulaC15H22BrN4O3+
Molecular Weight386.27 g/mol
Exact Mass385.09
IUPAC Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C15H21BrN4O3/c1-3-8-17-13(21)9-20(2)10-14(22)18-19-15(23)11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)/p+1
InChIKeyYPXSKZFZDHZGRZ-UHFFFAOYSA-O
XLogP-0.75
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028149
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
[2-oxo-2-(propylamino)ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate
CID 2599071
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
2-[4-[2-(2-bromobenzoyl)hydrazinyl]-4-oxobutan-2-yl]hexanoic acid
CID 3808941
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
N-[4-[[(2-bromobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011742

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 9289290) is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is YPXSKZFZDHZGRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21BrN4O3/c1-3-8-17-13(21)9-20(2)10-14(22)18-19-15(23)11-6-4-5-7-12(11)16/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)/p+1.
What are the key properties of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 386.27 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 9289290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).