N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide

C13H13BrFN3OS — CID 62661675

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C13H13BrFN3OS/c1-18(6-8-5-11(14)20-7-8)13(19)9-3-2-4-10(15)12(9)17-16/h2-5,7,17H,6,16H2,1H3
InChIKeyCJISDUFYRLGIQH-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.21
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide (PubChem CID 62661675) has the molecular formula C13H13BrFN3OS and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
PubChem CID62661675
Molecular FormulaC13H13BrFN3OS
Molecular Weight358.24 g/mol
Exact Mass356.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C13H13BrFN3OS/c1-18(6-8-5-11(14)20-7-8)13(19)9-3-2-4-10(15)12(9)17-16/h2-5,7,17H,6,16H2,1H3
InChIKeyCJISDUFYRLGIQH-UHFFFAOYSA-N
XLogP3.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide 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-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256288
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide (CID 62661675) is N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide is CN(Cc1csc(Br)c1)C(=O)c1cccc(F)c1NN.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The InChIKey is CJISDUFYRLGIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3OS/c1-18(6-8-5-11(14)20-7-8)13(19)9-3-2-4-10(15)12(9)17-16/h2-5,7,17H,6,16H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide has a molecular weight of 358.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide is sourced from PubChem (CID 62661675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).