N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide

C18H19ClFNOS — CID 3512806

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyBUUBNPAFGRIIIE-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.46
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide (PubChem CID 3512806) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide
PubChem CID3512806
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(F)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyBUUBNPAFGRIIIE-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-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide 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-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
2-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450269
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
3-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635104

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide (CID 3512806) is N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide is O=C(CCSCc1cccc(F)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide?
The InChIKey is BUUBNPAFGRIIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide 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-(4-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 3512806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).