methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate

C20H15FN2O3S — CID 9298313

IUPACmethyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H15FN2O3S/c1-26-20(25)16-5-3-2-4-14(16)12-22-23-19(24)18-11-10-17(27-18)13-6-8-15(21)9-7-13/h2-12H,1H3,(H,23,24)/b22-12-
InChIKeyDUDVSZHOSICGOW-UUYOSTAYSA-N
MW382.42 g/mol
LogP4.10
Rot. Bonds5

About methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate (PubChem CID 9298313) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
PubChem CID9298313
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Namemethyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H15FN2O3S/c1-26-20(25)16-5-3-2-4-14(16)12-22-23-19(24)18-11-10-17(27-18)13-6-8-15(21)9-7-13/h2-12H,1H3,(H,23,24)/b22-12-
InChIKeyDUDVSZHOSICGOW-UUYOSTAYSA-N
XLogP4.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
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

2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9182743
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9183125
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
CID 155881783
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9298316
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881796
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140
methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 9293970
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate (CID 9298313) is methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate?
The InChIKey is DUDVSZHOSICGOW-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-26-20(25)16-5-3-2-4-14(16)12-22-23-19(24)18-11-10-17(27-18)13-6-8-15(21)9-7-13/h2-12H,1H3,(H,23,24)/b22-12-.
What are the key properties of methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate has a molecular weight of 382.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9298313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).