N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide

C18H19ClFNOS — CID 2210668

IUPACN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCSCc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNOS/c19-16-7-4-8-17(20)15(16)13-23-12-11-21-18(22)10-9-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,21,22)
InChIKeyRYSDFKZBJZMGFB-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.46
Rot. Bonds8

About N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide

N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide (PubChem CID 2210668) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide
PubChem CID2210668
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC NameN-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCSCc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNOS/c19-16-7-4-8-17(20)15(16)13-23-12-11-21-18(22)10-9-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,21,22)
InChIKeyRYSDFKZBJZMGFB-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide 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-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 828501
2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
N-(2-((4-Chlorophenyl)sulfinyl)ethyl)-2-phenylacetamide
CID 1489581
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenylacetamide
CID 2278688
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372
3-[(3-chlorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 4219374
3-[(3-chlorobenzyl)thio]-N-(2-cyclohex-1-en-1-ylethyl)propanamide
CID 4219378
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
N-[(2-Chloro-4-fluorophenyl)methyl]-3-{[(2-chlorophenyl)methyl]sulfanyl}propanamide
CID 4987746
3-[(3-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 5068934

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide (CID 2210668) is N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCSCc1c(F)cccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide?
The InChIKey is RYSDFKZBJZMGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c19-16-7-4-8-17(20)15(16)13-23-12-11-21-18(22)10-9-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,21,22).
What are the key properties of N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide?
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide has a molecular weight of 351.87 g/mol, XLogP of 4.46, 8 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]-3-phenylpropanamide is sourced from PubChem (CID 2210668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).