3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide

C14H15BrFN3OS — CID 107458562

IUPAC3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
SMILESCN(Cc1csc(Br)c1)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H15BrFN3OS/c1-19(6-9-4-13(15)21-8-9)7-11-5-10(14(20)18-17)2-3-12(11)16/h2-5,8H,6-7,17H2,1H3,(H,18,20)
InChIKeyOYJLLCPUMFONLF-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.89
Rot. Bonds5

About 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide

3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide (PubChem CID 107458562) has the molecular formula C14H15BrFN3OS and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
PubChem CID107458562
Molecular FormulaC14H15BrFN3OS
Molecular Weight372.26 g/mol
Exact Mass371.01
IUPAC Name3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide
SMILESCN(Cc1csc(Br)c1)Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C14H15BrFN3OS/c1-19(6-9-4-13(15)21-8-9)7-11-5-10(14(20)18-17)2-3-12(11)16/h2-5,8H,6-7,17H2,1H3,(H,18,20)
InChIKeyOYJLLCPUMFONLF-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide 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

3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
4-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 62035991
methyl 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophene-2-carboxylate
CID 71855938
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
1-[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 62035798
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910054
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-difluorophenyl)ethanone
CID 62037157
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994242

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide (CID 107458562) is 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide is CN(Cc1csc(Br)c1)Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide?
The InChIKey is OYJLLCPUMFONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3OS/c1-19(6-9-4-13(15)21-8-9)7-11-5-10(14(20)18-17)2-3-12(11)16/h2-5,8H,6-7,17H2,1H3,(H,18,20).
What are the key properties of 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide?
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide has a molecular weight of 372.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).