N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide

C10H11ClFNOS — CID 58958400

IUPACN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide
SMILESO=CNCCSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNOS/c11-9-2-1-3-10(12)8(9)6-15-5-4-13-7-14/h1-3,7H,4-6H2,(H,13,14)
InChIKeyRJDRDENCYFDEGD-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide

N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide (PubChem CID 58958400) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide
PubChem CID58958400
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide
SMILESO=CNCCSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNOS/c11-9-2-1-3-10(12)8(9)6-15-5-4-13-7-14/h1-3,7H,4-6H2,(H,13,14)
InChIKeyRJDRDENCYFDEGD-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide 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

2-[(2-Chlorobenzyl)thio]ethanamine
CID 234909
2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
2-(2-Chloro-6-fluorobenzylthio)ethylamine
CID 2736553
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-methylacetamide
CID 848434
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-N-isopropylacetamide
CID 838666
2-[(2,6-dichlorobenzyl)thio]-N-methylacetamide
CID 894324
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 2217851
2-[(2,6-dichlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 2467184
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 2804916
2-[(2-Chloro-6-fluorobenzyl)sulfanyl]acetamide
CID 961808
2-[(2-chlorobenzyl)sulfanyl]-N-cyclopropylacetamide
CID 882941

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide (CID 58958400) is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide is O=CNCCSCc1c(F)cccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide?
The InChIKey is RJDRDENCYFDEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-9-2-1-3-10(12)8(9)6-15-5-4-13-7-14/h1-3,7H,4-6H2,(H,13,14).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide?
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide has a molecular weight of 247.72 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]formamide is sourced from PubChem (CID 58958400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).