2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide

C30H28ClN7O2 — CID 3178104

About 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide

2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide (PubChem CID 3178104) has the molecular formula C30H28ClN7O2 and a molecular weight of 554.05 g/mol. Its IUPAC name is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide
• PubChem CID: 3178104
• Molecular Formula: C30H28ClN7O2
• Molecular Weight: 554.05 g/mol
• Exact Mass: 553.20
• IUPAC Name: 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide
• SMILES: O=C(NC1CCCC1)C(c1c[nH]c2ccccc12)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1
• InChI: InChI=1S/C30H28ClN7O2/c31-21-16-14-20(15-17-21)29-34-36-37(35-29)19-27(39)38(23-10-2-1-3-11-23)28(30(40)33-22-8-4-5-9-22)25-18-32-26-13-7-6-12-24(25)26/h1-3,6-7,10-18,22,28,32H,4-5,8-9,19H2,(H,33,40)
• InChIKey: YZKXURBNUCFMKA-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.05
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide?

The IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide (CID 3178104) is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide is O=C(NC1CCCC1)C(c1c[nH]c2ccccc12)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1.

What is the InChIKey of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide?

The InChIKey is YZKXURBNUCFMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN7O2/c31-21-16-14-20(15-17-21)29-34-36-37(35-29)19-27(39)38(23-10-2-1-3-11-23)28(30(40)33-22-8-4-5-9-22)25-18-32-26-13-7-6-12-24(25)26/h1-3,6-7,10-18,22,28,32H,4-5,8-9,19H2,(H,33,40).

What are the key properties of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide?

2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide has a molecular weight of 554.05 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentyl-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 3178104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).