4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

C16H16ClFN2OS — CID 45199491

IUPAC4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Cl)s2)CN1Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2OS/c17-15-5-4-14(22-15)8-19-13-7-16(21)20(10-13)9-11-2-1-3-12(18)6-11/h1-6,13,19H,7-10H2
InChIKeyLNIGVZRDDWIDQA-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.43
Rot. Bonds5

About 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 45199491) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID45199491
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC Name4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Cl)s2)CN1Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2OS/c17-15-5-4-14(22-15)8-19-13-7-16(21)20(10-13)9-11-2-1-3-12(18)6-11/h1-6,13,19H,7-10H2
InChIKeyLNIGVZRDDWIDQA-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one (CID 45199491) is 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one is O=C1CC(NCc2ccc(Cl)s2)CN1Cc1cccc(F)c1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is LNIGVZRDDWIDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c17-15-5-4-14(22-15)8-19-13-7-16(21)20(10-13)9-11-2-1-3-12(18)6-11/h1-6,13,19H,7-10H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 338.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45199491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).