N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide

C18H15F2N3O3 — CID 31905428

IUPACN'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESO=C(COc1ccc(F)cc1F)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15F2N3O3/c19-12-5-6-16(14(20)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)
InChIKeyJJMXLLYAQYZOHC-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide

N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide (PubChem CID 31905428) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
PubChem CID31905428
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESO=C(COc1ccc(F)cc1F)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H15F2N3O3/c19-12-5-6-16(14(20)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)
InChIKeyJJMXLLYAQYZOHC-UHFFFAOYSA-N
XLogP2.21
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.21
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]-1H-indole-3-carbohydrazide
CID 31977116
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 55616581
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide (CID 31905428) is N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide is O=C(COc1ccc(F)cc1F)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is JJMXLLYAQYZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c19-12-5-6-16(14(20)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-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 359.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 31905428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).