3-chloro-N'-(methylperoxymethyl)benzohydrazide

C9H11ClN2O3 — CID 163583814

IUPAC3-chloro-N'-(methylperoxymethyl)benzohydrazide
SMILESCOOCNNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O3/c1-14-15-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyGJUKWLAQZUPFEK-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.11
Rot. Bonds5

About 3-chloro-N'-(methylperoxymethyl)benzohydrazide

3-chloro-N'-(methylperoxymethyl)benzohydrazide (PubChem CID 163583814) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-chloro-N'-(methylperoxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(methylperoxymethyl)benzohydrazide
PubChem CID163583814
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name3-chloro-N'-(methylperoxymethyl)benzohydrazide
SMILESCOOCNNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O3/c1-14-15-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyGJUKWLAQZUPFEK-UHFFFAOYSA-N
XLogP1.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-chloro-N'-(methylperoxymethyl)benzohydrazide 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

ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
3-chloro-N-propan-2-ylbenzamide
CID 669184
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
1-[(3-chlorobenzoyl)amino]-3-ethylthiourea
CID 4029166
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
methyl 3-chlorobenzenecarboperoxoate
CID 118256511

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(methylperoxymethyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(methylperoxymethyl)benzohydrazide (CID 163583814) is 3-chloro-N'-(methylperoxymethyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(methylperoxymethyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(methylperoxymethyl)benzohydrazide is COOCNNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-(methylperoxymethyl)benzohydrazide?
The InChIKey is GJUKWLAQZUPFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-14-15-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-5,11H,6H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N'-(methylperoxymethyl)benzohydrazide?
3-chloro-N'-(methylperoxymethyl)benzohydrazide has a molecular weight of 230.65 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(methylperoxymethyl)benzohydrazide is sourced from PubChem (CID 163583814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).