N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide

C17H13F2N3O3 — CID 31977116

IUPACN'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
SMILESO=C(COc1ccc(F)cc1F)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13F2N3O3/c18-10-5-6-15(13(19)7-10)25-9-16(23)21-22-17(24)12-8-20-14-4-2-1-3-11(12)14/h1-8,20H,9H2,(H,21,23)(H,22,24)
InChIKeyKBJVSOCDVMZWMC-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.29
Rot. Bonds4

About N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide

N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide (PubChem CID 31977116) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
PubChem CID31977116
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC NameN'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
SMILESO=C(COc1ccc(F)cc1F)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13F2N3O3/c18-10-5-6-15(13(19)7-10)25-9-16(23)21-22-17(24)12-8-20-14-4-2-1-3-11(12)14/h1-8,20H,9H2,(H,21,23)(H,22,24)
InChIKeyKBJVSOCDVMZWMC-UHFFFAOYSA-N
XLogP2.29
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.29
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
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide (CID 31977116) is N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide is O=C(COc1ccc(F)cc1F)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is KBJVSOCDVMZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c18-10-5-6-15(13(19)7-10)25-9-16(23)21-22-17(24)12-8-20-14-4-2-1-3-11(12)14/h1-8,20H,9H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide?
N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 345.31 g/mol, XLogP of 2.29, 4 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]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 31977116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).