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

C15H14BrFN2O2S — CID 9091418

IUPACN'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1C
InChIInChI=1S/C15H14BrFN2O2S/c1-3-12-8(2)6-13(22-12)15(21)19-18-14(20)10-5-4-9(16)7-11(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYESYPZYCGSFLLQ-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.60
Rot. Bonds3

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

N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 9091418) has the molecular formula C15H14BrFN2O2S and a molecular weight of 385.26 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID9091418
Molecular FormulaC15H14BrFN2O2S
Molecular Weight385.26 g/mol
Exact Mass383.99
IUPAC NameN'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1C
InChIInChI=1S/C15H14BrFN2O2S/c1-3-12-8(2)6-13(22-12)15(21)19-18-14(20)10-5-4-9(16)7-11(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYESYPZYCGSFLLQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,4-dimethylbenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 43004050
5-ethyl-N'-(2-hydroxy-4-methoxybenzoyl)-4-methylthiophene-2-carbohydrazide
CID 25432579
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
N'-(4-chloro-2-nitrobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418431
4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
CID 9086771
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-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091448
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide
CID 24619949
5-bromo-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9418407

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 9091418) is N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1C.
What is the InChIKey of N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is YESYPZYCGSFLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2S/c1-3-12-8(2)6-13(22-12)15(21)19-18-14(20)10-5-4-9(16)7-11(10)17/h4-7H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 385.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9091418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).