1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one

C21H20Cl2FNO — CID 15240670

IUPAC1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C21H20Cl2FNO/c1-12-13(2)25(20(26)19(12)17-7-5-6-8-18(17)24)21(3,4)14-9-15(22)11-16(23)10-14/h5-11,13H,1-4H3
InChIKeyJBCSJGUUBSXZOE-UHFFFAOYSA-N
MW392.30 g/mol
LogP6.07
Rot. Bonds3

About 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one

1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one (PubChem CID 15240670) has the molecular formula C21H20Cl2FNO and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
PubChem CID15240670
Molecular FormulaC21H20Cl2FNO
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1C
InChIInChI=1S/C21H20Cl2FNO/c1-12-13(2)25(20(26)19(12)17-7-5-6-8-18(17)24)21(3,4)14-9-15(22)11-16(23)10-14/h5-11,13H,1-4H3
InChIKeyJBCSJGUUBSXZOE-UHFFFAOYSA-N
XLogP6.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15604135
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US9670142, A63 3'-chloro-4'-fluoro-biphenyl-4-carboxylic acid methyl-((1R,3S)-3-propionylamino-cyclopentyl)-amide
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CID 44398131
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CID 60154113
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one (CID 15240670) is 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1C.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The InChIKey is JBCSJGUUBSXZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FNO/c1-12-13(2)25(20(26)19(12)17-7-5-6-8-18(17)24)21(3,4)14-9-15(22)11-16(23)10-14/h5-11,13H,1-4H3.
What are the key properties of 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one has a molecular weight of 392.30 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 15240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).