(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C23H27FN2O4 — CID 1081116

IUPAC(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F
InChIInChI=1S/C23H27FN2O4/c1-4-25(5-2)13-8-14-26-20(16-9-6-7-10-17(16)24)19(22(28)23(26)29)21(27)18-12-11-15(3)30-18/h6-7,9-12,20,28H,4-5,8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyXZUXQUPSJAGULN-FQEVSTJZSA-N
MW414.48 g/mol
LogP4.04
Rot. Bonds9

About (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 1081116) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID1081116
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F
InChIInChI=1S/C23H27FN2O4/c1-4-25(5-2)13-8-14-26-20(16-9-6-7-10-17(16)24)19(22(28)23(26)29)21(27)18-12-11-15(3)30-18/h6-7,9-12,20,28H,4-5,8,13-14H2,1-3H3/t20-/m0/s1
InChIKeyXZUXQUPSJAGULN-FQEVSTJZSA-N
XLogP4.04
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 661564
1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 3463392
(2S)-1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 1081115
1-[3-(diethylazaniumyl)propyl]-2-(2-fluorophenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate
CID 3941337
(2S)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 27305556
(2S)-2-(2,3-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 1323097
(2R)-2-(3-chlorophenyl)-1-[3-(dibutylamino)propyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 27305566
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108645920
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 23959661
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 3584441
(2R)-1-[3-(dibutylamino)propyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 27305570
(2S)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7371665

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 1081116) is (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is XZUXQUPSJAGULN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-4-25(5-2)13-8-14-26-20(16-9-6-7-10-17(16)24)19(22(28)23(26)29)21(27)18-12-11-15(3)30-18/h6-7,9-12,20,28H,4-5,8,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
(2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 414.48 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 1081116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).