N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C19H18ClFN2O2S — CID 4781650

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H18ClFN2O2S/c20-15-11-13(7-8-16(15)21)22-19(25)14-5-1-2-6-17(14)26-12-18(24)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25)
InChIKeyGPMHRFOUTXEEEG-UHFFFAOYSA-N
MW392.88 g/mol
LogP4.45
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 4781650) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID4781650
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H18ClFN2O2S/c20-15-11-13(7-8-16(15)21)22-19(25)14-5-1-2-6-17(14)26-12-18(24)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25)
InChIKeyGPMHRFOUTXEEEG-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 26086407
N-(3-methylsulfanylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39754583
N-(3,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 43010479
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 34440758
N-(4-morpholin-4-ylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 5206302
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55567210
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 4781650) is N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is GPMHRFOUTXEEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S/c20-15-11-13(7-8-16(15)21)22-19(25)14-5-1-2-6-17(14)26-12-18(24)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 392.88 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 4781650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).