N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide

C18H19FN2O4 — CID 2125221

IUPACN'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide
SMILESCc1ccccc1OCCC(=O)NNC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H19FN2O4/c1-13-5-2-3-8-16(13)24-10-9-17(22)20-21-18(23)12-25-15-7-4-6-14(19)11-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVXBSGWOCLVNPLW-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.13
Rot. Bonds7

About N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide

N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide (PubChem CID 2125221) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide
PubChem CID2125221
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide
SMILESCc1ccccc1OCCC(=O)NNC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H19FN2O4/c1-13-5-2-3-8-16(13)24-10-9-17(22)20-21-18(23)12-25-15-7-4-6-14(19)11-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyVXBSGWOCLVNPLW-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide (CID 2125221) is N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide is Cc1ccccc1OCCC(=O)NNC(=O)COc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide?
The InChIKey is VXBSGWOCLVNPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-13-5-2-3-8-16(13)24-10-9-17(22)20-21-18(23)12-25-15-7-4-6-14(19)11-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide?
N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide has a molecular weight of 346.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenoxy)acetyl]-3-(2-methylphenoxy)propanehydrazide is sourced from PubChem (CID 2125221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).