N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide

C23H17FN2O3S — CID 22777349

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3S/c24-16-7-5-15(6-8-16)21(27)25-17-9-11-18(12-10-17)30-14-13-26-22(28)19-3-1-2-4-20(19)23(26)29/h1-12H,13-14H2,(H,25,27)
InChIKeyOVJPPGFGWGUHKW-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide (PubChem CID 22777349) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
PubChem CID22777349
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3S/c24-16-7-5-15(6-8-16)21(27)25-17-9-11-18(12-10-17)30-14-13-26-22(28)19-3-1-2-4-20(19)23(26)29/h1-12H,13-14H2,(H,25,27)
InChIKeyOVJPPGFGWGUHKW-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 22779665
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]-3-methylbenzamide
CID 22779288
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]furan-2-carboxamide
CID 19631521
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-2-phenoxyacetamide
CID 22779662
N-[(Z)-1-(2-chlorophenyl)-3-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783795
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
N-[(Z)-1-(3-chlorophenyl)-3-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22783815
(4-benzamidophenyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 35611048

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide (CID 22777349) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide is O=C(Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide?
The InChIKey is OVJPPGFGWGUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c24-16-7-5-15(6-8-16)21(27)25-17-9-11-18(12-10-17)30-14-13-26-22(28)19-3-1-2-4-20(19)23(26)29/h1-12H,13-14H2,(H,25,27).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide has a molecular weight of 420.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 22777349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).