2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide

C17H17ClN2O3 — CID 909280

IUPAC2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-7-8-15(12(2)9-11)23-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXMPKHBFRSQJTHU-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide

2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 909280) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID909280
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-7-8-15(12(2)9-11)23-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXMPKHBFRSQJTHU-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.80
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

N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122823
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
N'-[2-(2,5-dichlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 24563273
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78816084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (CID 909280) is 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is XMPKHBFRSQJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-7-8-15(12(2)9-11)23-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 332.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 909280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).