4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

C23H20N2O4 — CID 7601018

IUPAC4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-16-6-5-9-20(14-16)29-15-21(26)24-25-23(28)19-12-10-18(11-13-19)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyHAZJEPAIFGHGTD-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.07
Rot. Bonds6

About 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (PubChem CID 7601018) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
PubChem CID7601018
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-16-6-5-9-20(14-16)29-15-21(26)24-25-23(28)19-12-10-18(11-13-19)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,28)
InChIKeyHAZJEPAIFGHGTD-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 24538802

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (CID 7601018) is 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is HAZJEPAIFGHGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16-6-5-9-20(14-16)29-15-21(26)24-25-23(28)19-12-10-18(11-13-19)22(27)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 388.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7601018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).