7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride

C50H43Cl8N4O6P — CID 158567271

About 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride

7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride (PubChem CID 158567271) has the molecular formula C50H43Cl8N4O6P and a molecular weight of 1110.51 g/mol. Its IUPAC name is 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride.

Molecular Properties

• Compound Name: 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride
• PubChem CID: 158567271
• Molecular Formula: C50H43Cl8N4O6P
• Molecular Weight: 1110.51 g/mol
• Exact Mass: 1106.04
• IUPAC Name: 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride
• SMILES: COc1ccc(CN2C(=O)C(CCc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1.COc1ccc(CN2C(=O)C(CCc3ccccc3Cl)NC(=O)c3cc(Cl)ccc32)cc1.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C25H21Cl3N2O2.C25H22Cl2N2O3.Cl3OP/c1-32-19-10-6-16(7-11-19)15-30-23-13-9-18(26)14-20(23)24(28)29-22(25(30)31)12-8-17-4-2-3-5-21(17)27;1-32-19-10-6-16(7-11-19)15-29-23-13-9-18(26)14-20(23)24(30)28-22(25(29)31)12-8-17-4-2-3-5-21(17)27;1-5(2,3)4/h2-7,9-11,13-14,22H,8,12,15H2,1H3;2-7,9-11,13-14,22H,8,12,15H2,1H3,(H,28,30)
• InChIKey: HRQDSGYLOUUOPQ-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 117.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.51
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride?

The IUPAC name of 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride (CID 158567271) is 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride.

What is the SMILES notation for 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride?

The canonical SMILES for 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride is COc1ccc(CN2C(=O)C(CCc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1.COc1ccc(CN2C(=O)C(CCc3ccccc3Cl)NC(=O)c3cc(Cl)ccc32)cc1.O=P(Cl)(Cl)Cl.

What is the InChIKey of 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride?

The InChIKey is HRQDSGYLOUUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl3N2O2.C25H22Cl2N2O3.Cl3OP/c1-32-19-10-6-16(7-11-19)15-30-23-13-9-18(26)14-20(23)24(28)29-22(25(30)31)12-8-17-4-2-3-5-21(17)27;1-32-19-10-6-16(7-11-19)15-29-23-13-9-18(26)14-20(23)24(30)28-22(25(29)31)12-8-17-4-2-3-5-21(17)27;1-5(2,3)4/h2-7,9-11,13-14,22H,8,12,15H2,1H3;2-7,9-11,13-14,22H,8,12,15H2,1H3,(H,28,30);.

What are the key properties of 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride?

7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride has a molecular weight of 1110.51 g/mol, XLogP of 14.63, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;5,7-dichloro-3-[2-(2-chlorophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one;phosphoryl trichloride is sourced from PubChem (CID 158567271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).