N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride

C14H19ClFN3O3S — CID 119318237

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CCCN1
InChIInChI=1S/C14H18FN3O3S.ClH/c15-11-5-4-10(17-14(19)12-3-1-6-16-12)9-13(11)18-7-2-8-22(18,20)21;/h4-5,9,12,16H,1-3,6-8H2,(H,17,19);1H
InChIKeyAIFHSCSOUREIBG-UHFFFAOYSA-N
MW363.84 g/mol
LogP1.48
Rot. Bonds3

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119318237) has the molecular formula C14H19ClFN3O3S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119318237
Molecular FormulaC14H19ClFN3O3S
Molecular Weight363.84 g/mol
Exact Mass363.08
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CCCN1
InChIInChI=1S/C14H18FN3O3S.ClH/c15-11-5-4-10(17-14(19)12-3-1-6-16-12)9-13(11)18-7-2-8-22(18,20)21;/h4-5,9,12,16H,1-3,6-8H2,(H,17,19);1H
InChIKeyAIFHSCSOUREIBG-UHFFFAOYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 22689961
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774480
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
5-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoroanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119127765
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119318237) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)C1CCCN1.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AIFHSCSOUREIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S.ClH/c15-11-5-4-10(17-14(19)12-3-1-6-16-12)9-13(11)18-7-2-8-22(18,20)21;/h4-5,9,12,16H,1-3,6-8H2,(H,17,19);1H.
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119318237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).