4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide

C18H18F2N2O2S — CID 46653260

IUPAC4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCSCc1ccccc1F
InChIInChI=1S/C18H18F2N2O2S/c19-15-7-5-13(6-8-15)18(24)22-11-17(23)21-9-10-25-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyQRXXBKQLUSXUPZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.74
Rot. Bonds8

About 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide (PubChem CID 46653260) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
PubChem CID46653260
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)NCCSCc1ccccc1F
InChIInChI=1S/C18H18F2N2O2S/c19-15-7-5-13(6-8-15)18(24)22-11-17(23)21-9-10-25-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2,(H,21,23)(H,22,24)
InChIKeyQRXXBKQLUSXUPZ-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46653254
4-(carbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 78806424
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78804753
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
4-(1,3-dithian-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 8744638
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-N-methylbenzamide
CID 55567664

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide (CID 46653260) is 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)NCCSCc1ccccc1F.
What is the InChIKey of 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is QRXXBKQLUSXUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c19-15-7-5-13(6-8-15)18(24)22-11-17(23)21-9-10-25-12-14-3-1-2-4-16(14)20/h1-8H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46653260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).