5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide

C15H12ClFN2O2S — CID 71839084

IUPAC5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClFN2O2S/c16-13-6-5-12(22-13)14(20)18-11-7-8-19(15(11)21)10-3-1-9(17)2-4-10/h1-6,11H,7-8H2,(H,18,20)
InChIKeyDHAQHFMRHNZJCV-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.08
Rot. Bonds3

About 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide

5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 71839084) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID71839084
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClFN2O2S/c16-13-6-5-12(22-13)14(20)18-11-7-8-19(15(11)21)10-3-1-9(17)2-4-10/h1-6,11H,7-8H2,(H,18,20)
InChIKeyDHAQHFMRHNZJCV-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 71839084) is 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is DHAQHFMRHNZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c16-13-6-5-12(22-13)14(20)18-11-7-8-19(15(11)21)10-3-1-9(17)2-4-10/h1-6,11H,7-8H2,(H,18,20).
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71839084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).