2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid

C20H15FN2O4S — CID 9182743

IUPAC2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H15FN2O4S/c21-15-7-5-13(6-8-15)17-9-10-18(28-17)20(26)23-22-11-14-3-1-2-4-16(14)27-12-19(24)25/h1-11H,12H2,(H,23,26)(H,24,25)/b22-11-
InChIKeyAAGRMFZOFUYSCZ-JJFYIABZSA-N
MW398.42 g/mol
LogP3.78
Rot. Bonds7

About 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 9182743) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID9182743
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC Name2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H15FN2O4S/c21-15-7-5-13(6-8-15)17-9-10-18(28-17)20(26)23-22-11-14-3-1-2-4-16(14)27-12-19(24)25/h1-11H,12H2,(H,23,26)(H,24,25)/b22-11-
InChIKeyAAGRMFZOFUYSCZ-JJFYIABZSA-N
XLogP3.78
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
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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Related Compounds

methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
CID 9298313
2-[2-[(Z)-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5450271
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9298316
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9183125
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5403957
2-[2-[(Z)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8982713
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
N-[(2-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128539

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 9182743) is 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is AAGRMFZOFUYSCZ-JJFYIABZSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c21-15-7-5-13(6-8-15)17-9-10-18(28-17)20(26)23-22-11-14-3-1-2-4-16(14)27-12-19(24)25/h1-11H,12H2,(H,23,26)(H,24,25)/b22-11-.
What are the key properties of 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 398.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 9182743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).