2-chloro-3-prop-2-ynoxybenzohydrazide

C10H9ClN2O2 — CID 139557947

IUPAC2-chloro-3-prop-2-ynoxybenzohydrazide
SMILESC#CCOc1cccc(C(=O)NN)c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-6-15-8-5-3-4-7(9(8)11)10(14)13-12/h1,3-5H,6,12H2,(H,13,14)
InChIKeySBHYDCSVSWWBRT-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.96
Rot. Bonds3

About 2-chloro-3-prop-2-ynoxybenzohydrazide

2-chloro-3-prop-2-ynoxybenzohydrazide (PubChem CID 139557947) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-3-prop-2-ynoxybenzohydrazide.

Molecular Properties

Compound Name2-chloro-3-prop-2-ynoxybenzohydrazide
PubChem CID139557947
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-chloro-3-prop-2-ynoxybenzohydrazide
SMILESC#CCOc1cccc(C(=O)NN)c1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-6-15-8-5-3-4-7(9(8)11)10(14)13-12/h1,3-5H,6,12H2,(H,13,14)
InChIKeySBHYDCSVSWWBRT-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.96
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-hydroxybenzohydrazide
CID 59092296
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
8-chloronaphthalene-1-carbohydrazide
CID 176640638
N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
CID 78843025
2-chloro-6-(hydrazinecarbonyl)benzoic acid
CID 169146533
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
[2-(2-chlorophenyl)oxiran-2-yl]-(2-prop-2-ynoxyphenyl)methanone
CID 102279686
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
2,3-bis(prop-2-ynoxy)phenol
CID 139940757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-prop-2-ynoxybenzohydrazide?
The IUPAC name of 2-chloro-3-prop-2-ynoxybenzohydrazide (CID 139557947) is 2-chloro-3-prop-2-ynoxybenzohydrazide.
What is the SMILES notation for 2-chloro-3-prop-2-ynoxybenzohydrazide?
The canonical SMILES for 2-chloro-3-prop-2-ynoxybenzohydrazide is C#CCOc1cccc(C(=O)NN)c1Cl.
What is the InChIKey of 2-chloro-3-prop-2-ynoxybenzohydrazide?
The InChIKey is SBHYDCSVSWWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-6-15-8-5-3-4-7(9(8)11)10(14)13-12/h1,3-5H,6,12H2,(H,13,14).
What are the key properties of 2-chloro-3-prop-2-ynoxybenzohydrazide?
2-chloro-3-prop-2-ynoxybenzohydrazide has a molecular weight of 224.65 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-prop-2-ynoxybenzohydrazide is sourced from PubChem (CID 139557947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).