N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide

C22H19F2NO2S — CID 573357

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
InChIKeyPCERKSBIDOORLV-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.07
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide

N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide (PubChem CID 573357) has the molecular formula C22H19F2NO2S and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
PubChem CID573357
Molecular FormulaC22H19F2NO2S
Molecular Weight399.46 g/mol
Exact Mass399.11
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESO=C(NCCOc1ccccc1F)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26)
InChIKeyPCERKSBIDOORLV-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-propoxybenzamide
CID 16330939
N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 2174469
N-[2-(3-methylphenoxy)ethyl]-2-(methylthio)benzamide
CID 2295662
N-(4-methoxybenzyl)-2-(methylthio)benzamide
CID 1265563
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-(methylsulfanyl)benzamide
CID 614253
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(2-methylsulfanylphenoxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132256717
4-methoxy-N-[2-(phenylsulfanyl)ethyl]benzamide
CID 2250429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide (CID 573357) is N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide is O=C(NCCOc1ccccc1F)c1ccccc1SCc1ccc(F)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The InChIKey is PCERKSBIDOORLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO2S/c23-17-11-9-16(10-12-17)15-28-21-8-4-1-5-18(21)22(26)25-13-14-27-20-7-3-2-6-19(20)24/h1-12H,13-15H2,(H,25,26).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide has a molecular weight of 399.46 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 573357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).