5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide

C17H17ClN2O4 — CID 55376169

IUPAC5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C17H17ClN2O4/c1-10-3-4-11(2)15(7-10)24-9-16(22)19-20-17(23)13-8-12(18)5-6-14(13)21/h3-8,21H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySXYSTEQNGWNBST-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide

5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide (PubChem CID 55376169) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
PubChem CID55376169
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C17H17ClN2O4/c1-10-3-4-11(2)15(7-10)24-9-16(22)19-20-17(23)13-8-12(18)5-6-14(13)21/h3-8,21H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySXYSTEQNGWNBST-UHFFFAOYSA-N
XLogP2.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2,3,4,5-tetrafluorobenzohydrazide
CID 3442692
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55628971
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
CID 78573422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide (CID 55376169) is 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is SXYSTEQNGWNBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10-3-4-11(2)15(7-10)24-9-16(22)19-20-17(23)13-8-12(18)5-6-14(13)21/h3-8,21H,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide?
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 348.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 55376169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).