3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide

C11H15ClN2O2 — CID 50882310

IUPAC3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
SMILESCOc1c(Cl)cc(C(C)C)cc1C(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-6(2)7-4-8(11(15)14-13)10(16-3)9(12)5-7/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeySTHOSTMEPBFBSD-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.08
Rot. Bonds3

About 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide

3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide (PubChem CID 50882310) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
PubChem CID50882310
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
SMILESCOc1c(Cl)cc(C(C)C)cc1C(=O)NN
InChIInChI=1S/C11H15ClN2O2/c1-6(2)7-4-8(11(15)14-13)10(16-3)9(12)5-7/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeySTHOSTMEPBFBSD-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
4-amino-4-(3-chloro-2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 117460388
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
methyl 3-amino-2-methoxy-5-propan-2-ylbenzoate
CID 50882291
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117478165
2-amino-5-propan-2-ylbenzohydrazide
CID 162699356
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
3-amino-3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117432170
2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide?
The IUPAC name of 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide (CID 50882310) is 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide.
What is the SMILES notation for 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide?
The canonical SMILES for 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide is COc1c(Cl)cc(C(C)C)cc1C(=O)NN.
What is the InChIKey of 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide?
The InChIKey is STHOSTMEPBFBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6(2)7-4-8(11(15)14-13)10(16-3)9(12)5-7/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide?
3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide has a molecular weight of 242.71 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide is sourced from PubChem (CID 50882310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).