[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

C20H25BrN3O2+ — CID 9028149

IUPAC[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-14(2)16-10-8-15(9-11-16)12-24(3)13-19(25)22-23-20(26)17-6-4-5-7-18(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyIVXCXEIZDWPMEF-UHFFFAOYSA-O
MW419.34 g/mol
LogP2.05
Rot. Bonds6

About [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9028149) has the molecular formula C20H25BrN3O2+ and a molecular weight of 419.34 g/mol. Its IUPAC name is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9028149
Molecular FormulaC20H25BrN3O2+
Molecular Weight419.34 g/mol
Exact Mass418.11
IUPAC Name[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-14(2)16-10-8-15(9-11-16)12-24(3)13-19(25)22-23-20(26)17-6-4-5-7-18(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyIVXCXEIZDWPMEF-UHFFFAOYSA-O
XLogP2.05
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9289290
(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
CID 2698673
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8005973
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124754
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028906
(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460728
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
(2R)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460730

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 9028149) is [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)CC(=O)NNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is IVXCXEIZDWPMEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24BrN3O2/c1-14(2)16-10-8-15(9-11-16)12-24(3)13-19(25)22-23-20(26)17-6-4-5-7-18(17)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 419.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9028149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).