N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide

C19H16Cl2N2O4 — CID 18872423

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C19H16Cl2N2O4/c1-11-2-4-16-14(6-11)12(9-26-16)7-18(24)22-23-19(25)10-27-17-5-3-13(20)8-15(17)21/h2-6,8-9H,7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZRPHKCXGTKFUKA-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.82
Rot. Bonds5

About N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 18872423) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID18872423
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C19H16Cl2N2O4/c1-11-2-4-16-14(6-11)12(9-26-16)7-18(24)22-23-19(25)10-27-17-5-3-13(20)8-15(17)21/h2-6,8-9H,7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZRPHKCXGTKFUKA-UHFFFAOYSA-N
XLogP3.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.82
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

2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide
CID 4242505
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
N-[(2,4-dichlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46762453
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide (CID 18872423) is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide is Cc1ccc2occ(CC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is ZRPHKCXGTKFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-11-2-4-16-14(6-11)12(9-26-16)7-18(24)22-23-19(25)10-27-17-5-3-13(20)8-15(17)21/h2-6,8-9H,7,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 407.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 18872423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).