N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide

C19H18ClN3O3 — CID 17080283

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H18ClN3O3/c1-13-10-15(20)6-7-17(13)26-12-19(25)22-21-18(24)11-23-9-8-14-4-2-3-5-16(14)23/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHHDBIRBKKFGGNE-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.83
Rot. Bonds5

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide (PubChem CID 17080283) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
PubChem CID17080283
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C19H18ClN3O3/c1-13-10-15(20)6-7-17(13)26-12-19(25)22-21-18(24)11-23-9-8-14-4-2-3-5-16(14)23/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHHDBIRBKKFGGNE-UHFFFAOYSA-N
XLogP2.83
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.83
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-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080403
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278
5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide (CID 17080283) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The InChIKey is HHDBIRBKKFGGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-10-15(20)6-7-17(13)26-12-19(25)22-21-18(24)11-23-9-8-14-4-2-3-5-16(14)23/h2-10H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide has a molecular weight of 371.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide is sourced from PubChem (CID 17080283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).