N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide

C25H21Cl2N3O3 — CID 92660870

About N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide (PubChem CID 92660870) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide
• PubChem CID: 92660870
• Molecular Formula: C25H21Cl2N3O3
• Molecular Weight: 482.37 g/mol
• Exact Mass: 481.10
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](C)N=C(c2ccccc2)c2cc(Cl)ccc21
• InChI: InChI=1S/C25H21Cl2N3O3/c1-15-25(32)30(14-23(31)29-20-13-18(27)9-11-22(20)33-2)21-10-8-17(26)12-19(21)24(28-15)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,29,31)/t15-/m1/s1
• InChIKey: IVMUCZZVNXUZLI-OAHLLOKOSA-N
• XLogP: 5.21
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.37
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide (CID 92660870) is N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H](C)N=C(c2ccccc2)c2cc(Cl)ccc21.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide?

The InChIKey is IVMUCZZVNXUZLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c1-15-25(32)30(14-23(31)29-20-13-18(27)9-11-22(20)33-2)21-10-8-17(26)12-19(21)24(28-15)16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,29,31)/t15-/m1/s1.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide has a molecular weight of 482.37 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[(3R)-7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide is sourced from PubChem (CID 92660870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).