4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide

C22H18ClN3O6 — CID 26850877

IUPAC4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O6/c23-17-5-9-19(10-6-17)31-13-15-1-3-16(4-2-15)22(28)25-24-21(27)14-32-20-11-7-18(8-12-20)26(29)30/h1-12H,13-14H2,(H,24,27)(H,25,28)
InChIKeyZWQIMQOZVMGZQB-UHFFFAOYSA-N
MW455.85 g/mol
LogP3.67
Rot. Bonds8

About 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 26850877) has the molecular formula C22H18ClN3O6 and a molecular weight of 455.85 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
PubChem CID26850877
Molecular FormulaC22H18ClN3O6
Molecular Weight455.85 g/mol
Exact Mass455.09
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O6/c23-17-5-9-19(10-6-17)31-13-15-1-3-16(4-2-15)22(28)25-24-21(27)14-32-20-11-7-18(8-12-20)26(29)30/h1-12H,13-14H2,(H,24,27)(H,25,28)
InChIKeyZWQIMQOZVMGZQB-UHFFFAOYSA-N
XLogP3.67
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126182001
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (CID 26850877) is 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is ZWQIMQOZVMGZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O6/c23-17-5-9-19(10-6-17)31-13-15-1-3-16(4-2-15)22(28)25-24-21(27)14-32-20-11-7-18(8-12-20)26(29)30/h1-12H,13-14H2,(H,24,27)(H,25,28).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 455.85 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26850877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).