N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

C18H19ClN2O5 — CID 4932300

IUPACN'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-11(26-14-7-5-4-6-13(14)19)17(22)20-21-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWXVHEWGZEFDAHT-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.59
Rot. Bonds6

About N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide

N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 4932300) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
PubChem CID4932300
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-11(26-14-7-5-4-6-13(14)19)17(22)20-21-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWXVHEWGZEFDAHT-UHFFFAOYSA-N
XLogP2.59
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
N'-[(2S)-2-(2,4-dichlorophenoxy)propanoyl]-4-methoxybenzohydrazide
CID 1104980
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide (CID 4932300) is N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1OC.
What is the InChIKey of N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is WXVHEWGZEFDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-11(26-14-7-5-4-6-13(14)19)17(22)20-21-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 378.81 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 4932300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).