2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C18H16FN3O5 — CID 6882268

IUPAC2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O5/c19-14-7-5-12(6-8-14)18(26)20-10-16(23)22-21-9-13-3-1-2-4-15(13)27-11-17(24)25/h1-9H,10-11H2,(H,20,26)(H,22,23)(H,24,25)/b21-9+
InChIKeyBTQCBWVHGGJAOC-ZVBGSRNCSA-N
MW373.34 g/mol
LogP1.17
Rot. Bonds8

About 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6882268) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6882268
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC Name2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O5/c19-14-7-5-12(6-8-14)18(26)20-10-16(23)22-21-9-13-3-1-2-4-15(13)27-11-17(24)25/h1-9H,10-11H2,(H,20,26)(H,22,23)(H,24,25)/b21-9+
InChIKeyBTQCBWVHGGJAOC-ZVBGSRNCSA-N
XLogP1.17
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6882268) is 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is BTQCBWVHGGJAOC-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H16FN3O5/c19-14-7-5-12(6-8-14)18(26)20-10-16(23)22-21-9-13-3-1-2-4-15(13)27-11-17(24)25/h1-9H,10-11H2,(H,20,26)(H,22,23)(H,24,25)/b21-9+.
What are the key properties of 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 373.34 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6882268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).