2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate

C43H32Cl4N2O8 — CID 157059287

About 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate

2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate (PubChem CID 157059287) has the molecular formula C43H32Cl4N2O8 and a molecular weight of 846.55 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate
• PubChem CID: 157059287
• Molecular Formula: C43H32Cl4N2O8
• Molecular Weight: 846.55 g/mol
• Exact Mass: 844.09
• IUPAC Name: 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate
• SMILES: COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC.COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O
• InChI: InChI=1S/C22H17Cl2NO4.C21H15Cl2NO4/c1-28-20-17(11-15(23)12-18(20)24)21(26)25-19-10-14(13-6-4-3-5-7-13)8-9-16(19)22(27)29-2;1-28-19-16(10-14(22)11-17(19)23)20(25)24-18-9-13(7-8-15(18)21(26)27)12-5-3-2-4-6-12/h3-12H,1-2H3,(H,25,26);2-11H,1H3,(H,24,25)(H,26,27)
• InChIKey: ABDAVXZYOHSKID-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 140.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.55
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate?

The IUPAC name of 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate (CID 157059287) is 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate.

What is the SMILES notation for 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate?

The canonical SMILES for 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate is COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC.COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O.

What is the InChIKey of 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate?

The InChIKey is ABDAVXZYOHSKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4.C21H15Cl2NO4/c1-28-20-17(11-15(23)12-18(20)24)21(26)25-19-10-14(13-6-4-3-5-7-13)8-9-16(19)22(27)29-2;1-28-19-16(10-14(22)11-17(19)23)20(25)24-18-9-13(7-8-15(18)21(26)27)12-5-3-2-4-6-12/h3-12H,1-2H3,(H,25,26);2-11H,1H3,(H,24,25)(H,26,27).

What are the key properties of 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate?

2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate has a molecular weight of 846.55 g/mol, XLogP of 11.33, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoic acid;methyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4-phenylbenzoate is sourced from PubChem (CID 157059287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).