N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide

C18H15Cl2N3O3 — CID 24563218

IUPACN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESO=C(COc1cc(Cl)ccc1Cl)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15Cl2N3O3/c19-12-5-6-14(20)16(8-12)26-10-18(25)23-22-17(24)7-11-9-21-15-4-2-1-3-13(11)15/h1-6,8-9,21H,7,10H2,(H,22,24)(H,23,25)
InChIKeyVSTKAAGDWHRBJS-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.24
Rot. Bonds5

About N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide

N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide (PubChem CID 24563218) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
PubChem CID24563218
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESO=C(COc1cc(Cl)ccc1Cl)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15Cl2N3O3/c19-12-5-6-14(20)16(8-12)26-10-18(25)23-22-17(24)7-11-9-21-15-4-2-1-3-13(11)15/h1-6,8-9,21H,7,10H2,(H,22,24)(H,23,25)
InChIKeyVSTKAAGDWHRBJS-UHFFFAOYSA-N
XLogP3.24
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 86069599
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
(2S)-2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 45339892
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60735799
5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 31829676
2-(2,5-dichlorophenoxy)-N-naphthalen-1-ylacetamide
CID 19167989
5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578794

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide (CID 24563218) is N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide is O=C(COc1cc(Cl)ccc1Cl)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is VSTKAAGDWHRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-12-5-6-14(20)16(8-12)26-10-18(25)23-22-17(24)7-11-9-21-15-4-2-1-3-13(11)15/h1-6,8-9,21H,7,10H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 392.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 24563218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).