N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

C15H14ClFN2O2S — CID 9404728

IUPACN'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O2S/c1-3-11-8(2)7-12(22-11)14(20)18-19-15(21)13-9(16)5-4-6-10(13)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHPZOGADTFNZZIH-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.49
Rot. Bonds3

About N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 9404728) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID9404728
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC NameN'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H14ClFN2O2S/c1-3-11-8(2)7-12(22-11)14(20)18-19-15(21)13-9(16)5-4-6-10(13)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHPZOGADTFNZZIH-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 9418430
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
N'-(2-chloro-4-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091403
N'-(4-chloro-2-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418431
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
7-chloro-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1,3-benzodioxole-5-carbohydrazide
CID 9428860
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
CID 36858937

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 9404728) is N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1C.
What is the InChIKey of N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is HPZOGADTFNZZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c1-3-11-8(2)7-12(22-11)14(20)18-19-15(21)13-9(16)5-4-6-10(13)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 340.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9404728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).