2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone

C108H113BrCl2F2N10O17 — CID 160562622

About 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone

2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone (PubChem CID 160562622) has the molecular formula C108H113BrCl2F2N10O17 and a molecular weight of 2011.95 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone
• PubChem CID: 160562622
• Molecular Formula: C108H113BrCl2F2N10O17
• Molecular Weight: 2011.95 g/mol
• Exact Mass: 2008.68
• IUPAC Name: 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone
• SMILES: CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1
• InChI: InChI=1S/C33H30ClFN4O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-20(40)26-17-37(29-14-13-22(16-25(26)29)38-15-5-10-31(38)42)19-32(43)39(21-11-12-21)18-30(41)36-28-9-4-7-24(33(28)35)23-6-2-3-8-27(23)34;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16-17,21H,5,10-12,15,18-19H2,1H3,(H,36,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2
• InChIKey: QZNALKFFUBTHIA-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 334.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2011.95
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?

The IUPAC name of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone (CID 160562622) is 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone.

What is the SMILES notation for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?

The canonical SMILES for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone is CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(N3CCCC3=O)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(N3CCCC3=O)cc12.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=C1CCCC1.

What is the InChIKey of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?

The InChIKey is QZNALKFFUBTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClFN4O4.C20H24N2O4.C18H17ClFNO.C16H18BrNO3.C16H16N2O4.C5H8O/c1-20(40)26-17-37(29-14-13-22(16-25(26)29)38-15-5-10-31(38)42)19-32(43)39(21-11-12-21)18-30(41)36-28-9-4-7-24(33(28)35)23-6-2-3-8-27(23)34;1-13(23)16-11-21(12-19(25)26-20(2,3)4)17-8-7-14(10-15(16)17)22-9-5-6-18(22)24;19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(19)13-8-17(9-16(21)22)14-5-4-11(7-12(13)14)18-6-2-3-15(18)20;6-5-3-1-2-4-5/h2-4,6-9,13-14,16-17,21H,5,10-12,15,18-19H2,1H3,(H,36,41);7-8,10-11H,5-6,9,12H2,1-4H3;1-7,13,21H,8-11H2;5-8H,9H2,1-4H3;4-5,7-8H,2-3,6,9H2,1H3,(H,21,22);1-4H2.

What are the key properties of 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone?

2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone has a molecular weight of 2011.95 g/mol, XLogP of 20.51, 26 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetic acid;2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-cyclopropylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(2-oxopyrrolidin-1-yl)indol-1-yl]acetate;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;cyclopentanone is sourced from PubChem (CID 160562622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).