2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid

C25H24ClNO6 — CID 10389958

IUPAC2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)OC(=O)N(CC2CCC(C(=O)c3ccc(-c4ccc(Cl)cc4)cc3)C2C(=O)O)C1=O
InChIInChI=1S/C25H24ClNO6/c1-25(2)23(31)27(24(32)33-25)13-17-9-12-19(20(17)22(29)30)21(28)16-5-3-14(4-6-16)15-7-10-18(26)11-8-15/h3-8,10-11,17,19-20H,9,12-13H2,1-2H3,(H,29,30)
InChIKeyLCZLIPYAMOIJBV-UHFFFAOYSA-N
MW469.92 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid

2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 10389958) has the molecular formula C25H24ClNO6 and a molecular weight of 469.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID10389958
Molecular FormulaC25H24ClNO6
Molecular Weight469.92 g/mol
Exact Mass469.13
IUPAC Name2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)OC(=O)N(CC2CCC(C(=O)c3ccc(-c4ccc(Cl)cc4)cc3)C2C(=O)O)C1=O
InChIInChI=1S/C25H24ClNO6/c1-25(2)23(31)27(24(32)33-25)13-17-9-12-19(20(17)22(29)30)21(28)16-5-3-14(4-6-16)15-7-10-18(26)11-8-15/h3-8,10-11,17,19-20H,9,12-13H2,1-2H3,(H,29,30)
InChIKeyLCZLIPYAMOIJBV-UHFFFAOYSA-N
XLogP4.67
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 10389958) is 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid is CC1(C)OC(=O)N(CC2CCC(C(=O)c3ccc(-c4ccc(Cl)cc4)cc3)C2C(=O)O)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LCZLIPYAMOIJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO6/c1-25(2)23(31)27(24(32)33-25)13-17-9-12-19(20(17)22(29)30)21(28)16-5-3-14(4-6-16)15-7-10-18(26)11-8-15/h3-8,10-11,17,19-20H,9,12-13H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid?
2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 469.92 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)benzoyl]-5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 10389958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).