2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone

C64H56Cl3N3O11 — CID 158712497

About 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone

2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone (PubChem CID 158712497) has the molecular formula C64H56Cl3N3O11 and a molecular weight of 1149.52 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone
• PubChem CID: 158712497
• Molecular Formula: C64H56Cl3N3O11
• Molecular Weight: 1149.52 g/mol
• Exact Mass: 1147.30
• IUPAC Name: 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone
• SMILES: COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)C(CC(=O)O)CC1.COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CC(C(=O)O)CC1.COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCC(C(C)=O)C1
• InChI: InChI=1S/C22H20ClNO3.2C21H18ClNO4/c1-13(25)15-5-9-20-18(11-15)19-12-17(27-2)8-10-21(19)24(20)22(26)14-3-6-16(23)7-4-14;1-27-15-7-9-18-17(11-15)16-8-4-13(10-19(24)25)20(16)23(18)21(26)12-2-5-14(22)6-3-12;1-27-15-7-9-18-17(11-15)16-8-4-13(21(25)26)10-19(16)23(18)20(24)12-2-5-14(22)6-3-12/h3-4,6-8,10,12,15H,5,9,11H2,1-2H3;2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,24,25);2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26)
• InChIKey: IIXCMPAYRBAPKE-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 185.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.52
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone?

The IUPAC name of 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone (CID 158712497) is 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone.

What is the SMILES notation for 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone?

The canonical SMILES for 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone is COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)C(CC(=O)O)CC1.COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CC(C(=O)O)CC1.COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCC(C(C)=O)C1.

What is the InChIKey of 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone?

The InChIKey is IIXCMPAYRBAPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3.2C21H18ClNO4/c1-13(25)15-5-9-20-18(11-15)19-12-17(27-2)8-10-21(19)24(20)22(26)14-3-6-16(23)7-4-14;1-27-15-7-9-18-17(11-15)16-8-4-13(10-19(24)25)20(16)23(18)21(26)12-2-5-14(22)6-3-12;1-27-15-7-9-18-17(11-15)16-8-4-13(21(25)26)10-19(16)23(18)20(24)12-2-5-14(22)6-3-12/h3-4,6-8,10,12,15H,5,9,11H2,1-2H3;2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,24,25);2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26).

What are the key properties of 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone?

2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone has a molecular weight of 1149.52 g/mol, XLogP of 13.36, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorobenzoyl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid;9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid;1-[9-(4-chlorobenzoyl)-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]ethanone is sourced from PubChem (CID 158712497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).