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

C21H20ClF2NO — CID 15240652

IUPAC1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C21H20ClF2NO/c1-12-13(2)25(20(26)19(12)15-7-5-6-8-17(15)23)21(3,4)14-9-10-18(24)16(22)11-14/h5-11,13H,1-4H3
InChIKeyAIGDONBXPQMHET-UHFFFAOYSA-N
MW375.85 g/mol
LogP5.56
Rot. Bonds3

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

1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one (PubChem CID 15240652) has the molecular formula C21H20ClF2NO and a molecular weight of 375.85 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
PubChem CID15240652
Molecular FormulaC21H20ClF2NO
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C21H20ClF2NO/c1-12-13(2)25(20(26)19(12)15-7-5-6-8-17(15)23)21(3,4)14-9-10-18(24)16(22)11-14/h5-11,13H,1-4H3
InChIKeyAIGDONBXPQMHET-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.85
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one (CID 15240652) is 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one is CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2ccc(F)c(Cl)c2)C1C.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
The InChIKey is AIGDONBXPQMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2NO/c1-12-13(2)25(20(26)19(12)15-7-5-6-8-17(15)23)21(3,4)14-9-10-18(24)16(22)11-14/h5-11,13H,1-4H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one?
1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one has a molecular weight of 375.85 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 15240652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).