benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride

C32H33ClN4O4 — CID 159300937

IUPACbenzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride
SMILESCc1cccc(C(=O)Cl)c1C.Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1C.NNC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O2.C9H9ClO.C7H8N2O/c1-11-7-6-10-14(12(11)2)16(20)18-17-15(19)13-8-4-3-5-9-13;1-6-4-3-5-8(7(6)2)9(10)11;8-9-7(10)6-4-2-1-3-5-6/h3-10H,1-2H3,(H,17,19)(H,18,20);3-5H,1-2H3;1-5H,8H2,(H,9,10)
InChIKeyLBIBLRSLMNEJTB-UHFFFAOYSA-N
MW573.09 g/mol
LogP5.35
Rot. Bonds4

About benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride

benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride (PubChem CID 159300937) has the molecular formula C32H33ClN4O4 and a molecular weight of 573.09 g/mol. Its IUPAC name is benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride.

Molecular Properties

Compound Namebenzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride
PubChem CID159300937
Molecular FormulaC32H33ClN4O4
Molecular Weight573.09 g/mol
Exact Mass572.22
IUPAC Namebenzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride
SMILESCc1cccc(C(=O)Cl)c1C.Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1C.NNC(=O)c1ccccc1
InChIInChI=1S/C16H16N2O2.C9H9ClO.C7H8N2O/c1-11-7-6-10-14(12(11)2)16(20)18-17-15(19)13-8-4-3-5-9-13;1-6-4-3-5-8(7(6)2)9(10)11;8-9-7(10)6-4-2-1-3-5-6/h3-10H,1-2H3,(H,17,19)(H,18,20);3-5H,1-2H3;1-5H,8H2,(H,9,10)
InChIKeyLBIBLRSLMNEJTB-UHFFFAOYSA-N
XLogP5.35
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.09
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride 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

2,3-dimethylbenzohydrazide
CID 16790549
benzohydrazide;propane
CID 90709051
benzohydrazide;molybdenum
CID 162076561
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
benzoyl chloride;tert-butylhydrazine;2-methylbenzoyl chloride;hydrochloride
CID 173294629
[2-(2,3-dimethylanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17260653
benzohydrazide;ethanol;hydrochloride
CID 70295048
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
benzamido 2-methylbenzoate
CID 5260358
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731

Frequently Asked Questions

What is the IUPAC name of benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride?
The IUPAC name of benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride (CID 159300937) is benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride.
What is the SMILES notation for benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride?
The canonical SMILES for benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride is Cc1cccc(C(=O)Cl)c1C.Cc1cccc(C(=O)NNC(=O)c2ccccc2)c1C.NNC(=O)c1ccccc1.
What is the InChIKey of benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride?
The InChIKey is LBIBLRSLMNEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C9H9ClO.C7H8N2O/c1-11-7-6-10-14(12(11)2)16(20)18-17-15(19)13-8-4-3-5-9-13;1-6-4-3-5-8(7(6)2)9(10)11;8-9-7(10)6-4-2-1-3-5-6/h3-10H,1-2H3,(H,17,19)(H,18,20);3-5H,1-2H3;1-5H,8H2,(H,9,10).
What are the key properties of benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride?
benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride has a molecular weight of 573.09 g/mol, XLogP of 5.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride is sourced from PubChem (CID 159300937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).