3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide

C11H15ClN2O2 — CID 116846890

IUPAC3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
SMILESCNNC(=O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C11H15ClN2O2/c1-6-5-8(16-4)9(7(2)10(6)12)11(15)14-13-3/h5,13H,1-4H3,(H,14,15)
InChIKeyQCEPHEWXPMMPLL-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.83
Rot. Bonds3

About 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide

3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide (PubChem CID 116846890) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
PubChem CID116846890
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
SMILESCNNC(=O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C11H15ClN2O2/c1-6-5-8(16-4)9(7(2)10(6)12)11(15)14-13-3/h5,13H,1-4H3,(H,14,15)
InChIKeyQCEPHEWXPMMPLL-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
CID 98022056
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide?
The IUPAC name of 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide (CID 116846890) is 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide.
What is the SMILES notation for 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide?
The canonical SMILES for 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide is CNNC(=O)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide?
The InChIKey is QCEPHEWXPMMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6-5-8(16-4)9(7(2)10(6)12)11(15)14-13-3/h5,13H,1-4H3,(H,14,15).
What are the key properties of 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide?
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide has a molecular weight of 242.71 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide is sourced from PubChem (CID 116846890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).