1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one

C20H19ClFNO — CID 15754271

IUPAC1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClFNO/c1-13-12-23(20(2,3)14-7-6-8-15(21)11-14)19(24)18(13)16-9-4-5-10-17(16)22/h4-11H,12H2,1-3H3
InChIKeyHNURNRDVYPDMET-UHFFFAOYSA-N
MW343.83 g/mol
LogP5.03
Rot. Bonds3

About 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one

1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one (PubChem CID 15754271) has the molecular formula C20H19ClFNO and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
PubChem CID15754271
Molecular FormulaC20H19ClFNO
Molecular Weight343.83 g/mol
Exact Mass343.11
IUPAC Name1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClFNO/c1-13-12-23(20(2,3)14-7-6-8-15(21)11-14)19(24)18(13)16-9-4-5-10-17(16)22/h4-11H,12H2,1-3H3
InChIKeyHNURNRDVYPDMET-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.83
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one (CID 15754271) is 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
The InChIKey is HNURNRDVYPDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO/c1-13-12-23(20(2,3)14-7-6-8-15(21)11-14)19(24)18(13)16-9-4-5-10-17(16)22/h4-11H,12H2,1-3H3.
What are the key properties of 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one?
1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one has a molecular weight of 343.83 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 15754271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).