[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate

C17H14Cl2N2O4 — CID 8871772

IUPAC[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
SMILESC[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O4/c1-10(25-17(24)12-8-5-9-13(18)14(12)19)15(22)20-21-16(23)11-6-3-2-4-7-11/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyIOCLGLZOELWDSW-JTQLQIEISA-N
MW381.22 g/mol
LogP3.00
Rot. Bonds4

About [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate

[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate (PubChem CID 8871772) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
PubChem CID8871772
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
SMILESC[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O4/c1-10(25-17(24)12-8-5-9-13(18)14(12)19)15(22)20-21-16(23)11-6-3-2-4-7-11/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1
InChIKeyIOCLGLZOELWDSW-JTQLQIEISA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 8939932
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 8937532
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 8863407
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9066538
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 8871605
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722742
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 51603440
2,3-dichloro-N'-(2-methylpropanoyl)benzohydrazide
CID 26890563
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate?
The IUPAC name of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate (CID 8871772) is [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate.
What is the SMILES notation for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate?
The canonical SMILES for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate is C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate?
The InChIKey is IOCLGLZOELWDSW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-10(25-17(24)12-8-5-9-13(18)14(12)19)15(22)20-21-16(23)11-6-3-2-4-7-11/h2-10H,1H3,(H,20,22)(H,21,23)/t10-/m0/s1.
What are the key properties of [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate?
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate has a molecular weight of 381.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate is sourced from PubChem (CID 8871772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).