4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide

C24H20ClN3O5 — CID 24635798

IUPAC4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H20ClN3O5/c1-31-22-12-17(8-11-21(22)33-14-18-4-2-3-5-20(18)25)24(30)28-27-23(29)15-32-19-9-6-16(13-26)7-10-19/h2-12H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyJGJUVWZUCWQXTA-UHFFFAOYSA-N
MW465.89 g/mol
LogP3.64
Rot. Bonds8

About 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide

4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide (PubChem CID 24635798) has the molecular formula C24H20ClN3O5 and a molecular weight of 465.89 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
PubChem CID24635798
Molecular FormulaC24H20ClN3O5
Molecular Weight465.89 g/mol
Exact Mass465.11
IUPAC Name4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H20ClN3O5/c1-31-22-12-17(8-11-21(22)33-14-18-4-2-3-5-20(18)25)24(30)28-27-23(29)15-32-19-9-6-16(13-26)7-10-19/h2-12H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyJGJUVWZUCWQXTA-UHFFFAOYSA-N
XLogP3.64
TPSA109.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
[2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 42984687
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 60600054
2-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
3-cyanopropyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 24530110
4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
CID 55619649
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide (CID 24635798) is 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide?
The InChIKey is JGJUVWZUCWQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5/c1-31-22-12-17(8-11-21(22)33-14-18-4-2-3-5-20(18)25)24(30)28-27-23(29)15-32-19-9-6-16(13-26)7-10-19/h2-12H,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide?
4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide has a molecular weight of 465.89 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 24635798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).