N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

C30H26Cl2N6O3 — CID 3180763

About N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 3180763) has the molecular formula C30H26Cl2N6O3 and a molecular weight of 589.48 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 3180763
• Molecular Formula: C30H26Cl2N6O3
• Molecular Weight: 589.48 g/mol
• Exact Mass: 588.14
• IUPAC Name: N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)C(C(=O)NCc3ccccc3)c3ccc(Cl)cc3)n2)o1
• InChI: InChI=1S/C30H26Cl2N6O3/c1-20-11-16-26(41-20)29-34-36-38(35-29)19-27(39)37(18-23-9-5-6-10-25(23)32)28(22-12-14-24(31)15-13-22)30(40)33-17-21-7-3-2-4-8-21/h2-16,28H,17-19H2,1H3,(H,33,40)
• InChIKey: RQUJMAAITXHJKP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.48
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The IUPAC name of N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (CID 3180763) is N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)C(C(=O)NCc3ccccc3)c3ccc(Cl)cc3)n2)o1.

What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

The InChIKey is RQUJMAAITXHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N6O3/c1-20-11-16-26(41-20)29-34-36-38(35-29)19-27(39)37(18-23-9-5-6-10-25(23)32)28(22-12-14-24(31)15-13-22)30(40)33-17-21-7-3-2-4-8-21/h2-16,28H,17-19H2,1H3,(H,33,40).

What are the key properties of N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?

N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 589.48 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 3180763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).