[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium

C17H19ClN3O2+ — CID 9306150

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)20-21-17(23)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3,(H,20,22)(H,21,23)/p+1/t12-/m0/s1
InChIKeyHXHVSMJZTUVEDO-LBPRGKRZSA-O
MW332.81 g/mol
LogP1.43
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium (PubChem CID 9306150) has the molecular formula C17H19ClN3O2+ and a molecular weight of 332.81 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
PubChem CID9306150
Molecular FormulaC17H19ClN3O2+
Molecular Weight332.81 g/mol
Exact Mass332.12
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)20-21-17(23)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3,(H,20,22)(H,21,23)/p+1/t12-/m0/s1
InChIKeyHXHVSMJZTUVEDO-LBPRGKRZSA-O
XLogP1.43
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium 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

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]azanium
CID 8599022
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8599138
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium (CID 9306150) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium is C[C@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
The InChIKey is HXHVSMJZTUVEDO-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)20-21-17(23)13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3,(H,20,22)(H,21,23)/p+1/t12-/m0/s1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium has a molecular weight of 332.81 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9306150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).