[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

C16H19BrN3O3+ — CID 8643284

IUPAC[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESCC[C@@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)18-10-15(21)19-20-16(22)14-4-3-9-23-14/h3-9,13,18H,2,10H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m1/s1
InChIKeyDTJFKMVSZPHEQK-CYBMUJFWSA-O
MW381.25 g/mol
LogP1.52
Rot. Bonds6

About [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (PubChem CID 8643284) has the molecular formula C16H19BrN3O3+ and a molecular weight of 381.25 g/mol. Its IUPAC name is [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
PubChem CID8643284
Molecular FormulaC16H19BrN3O3+
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESCC[C@@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)18-10-15(21)19-20-16(22)14-4-3-9-23-14/h3-9,13,18H,2,10H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m1/s1
InChIKeyDTJFKMVSZPHEQK-CYBMUJFWSA-O
XLogP1.52
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 51.52
H-Bond Donors ≤ 53
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-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970450
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8599162
[(1R)-1-(4-bromophenyl)propyl]-[2-(2,6-diethylanilino)-2-oxoethyl]azanium
CID 9263599
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
[(1R)-1-(4-bromophenyl)propyl]-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9263277
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
[(1S)-1-(4-bromophenyl)propyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9263737
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772605
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (CID 8643284) is [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is CC[C@@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The InChIKey is DTJFKMVSZPHEQK-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H18BrN3O3/c1-2-13(11-5-7-12(17)8-6-11)18-10-15(21)19-20-16(22)14-4-3-9-23-14/h3-9,13,18H,2,10H2,1H3,(H,19,21)(H,20,22)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium has a molecular weight of 381.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is sourced from PubChem (CID 8643284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).