4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide

C23H19F3N2O4 — CID 51948090

IUPAC4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide
SMILESO=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)15-6-3-5-14(11-15)17(13-28-10-4-9-21(28)30)27-22(31)20-12-18(29)16-7-1-2-8-19(16)32-20/h1-3,5-8,11-12,17H,4,9-10,13H2,(H,27,31)/t17-/m1/s1
InChIKeyFLJVMOZLQOASQK-QGZVFWFLSA-N
MW444.41 g/mol
LogP3.91
Rot. Bonds5

About 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide

4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide (PubChem CID 51948090) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide
PubChem CID51948090
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide
SMILESO=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)15-6-3-5-14(11-15)17(13-28-10-4-9-21(28)30)27-22(31)20-12-18(29)16-7-1-2-8-19(16)32-20/h1-3,5-8,11-12,17H,4,9-10,13H2,(H,27,31)/t17-/m1/s1
InChIKeyFLJVMOZLQOASQK-QGZVFWFLSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide (CID 51948090) is 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide is O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide?
The InChIKey is FLJVMOZLQOASQK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c24-23(25,26)15-6-3-5-14(11-15)17(13-28-10-4-9-21(28)30)27-22(31)20-12-18(29)16-7-1-2-8-19(16)32-20/h1-3,5-8,11-12,17H,4,9-10,13H2,(H,27,31)/t17-/m1/s1.
What are the key properties of 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide?
4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide has a molecular weight of 444.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 51948090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).