4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide

C24H26Cl2N2O4 — CID 4242505

IUPAC4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2cc1C(C)C
InChIInChI=1S/C24H26Cl2N2O4/c1-14(2)18-12-19-16(13-32-22(19)9-15(18)3)10-24(30)28-27-23(29)5-4-8-31-21-7-6-17(25)11-20(21)26/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBPUIGLGPEHVFMG-UHFFFAOYSA-N
MW477.39 g/mol
LogP5.72
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide

4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide (PubChem CID 4242505) has the molecular formula C24H26Cl2N2O4 and a molecular weight of 477.39 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide
PubChem CID4242505
Molecular FormulaC24H26Cl2N2O4
Molecular Weight477.39 g/mol
Exact Mass476.13
IUPAC Name4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2cc1C(C)C
InChIInChI=1S/C24H26Cl2N2O4/c1-14(2)18-12-19-16(13-32-22(19)9-15(18)3)10-24(30)28-27-23(29)5-4-8-31-21-7-6-17(25)11-20(21)26/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBPUIGLGPEHVFMG-UHFFFAOYSA-N
XLogP5.72
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423
4-(2,4-dichlorophenoxy)-N'-[2-(2,6-dimethylphenoxy)propanoyl]butanehydrazide
CID 4958695
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-methylbutanamide
CID 4923094
tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55560475
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide (CID 4242505) is 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide is Cc1cc2occ(CC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2cc1C(C)C.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide?
The InChIKey is BPUIGLGPEHVFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O4/c1-14(2)18-12-19-16(13-32-22(19)9-15(18)3)10-24(30)28-27-23(29)5-4-8-31-21-7-6-17(25)11-20(21)26/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide?
4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide has a molecular weight of 477.39 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]butanehydrazide is sourced from PubChem (CID 4242505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).