2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide

C21H18ClN7O2 — CID 38873567

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide (PubChem CID 38873567) has the molecular formula C21H18ClN7O2 and a molecular weight of 435.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
• PubChem CID: 38873567
• Molecular Formula: C21H18ClN7O2
• Molecular Weight: 435.88 g/mol
• Exact Mass: 435.12
• IUPAC Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
• SMILES: Cc1c(C#N)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n(Cc2ccco2)c1C
• InChI: InChI=1S/C21H18ClN7O2/c1-13-14(2)28(11-17-4-3-9-31-17)21(18(13)10-23)24-19(30)12-29-26-20(25-27-29)15-5-7-16(22)8-6-15/h3-9H,11-12H2,1-2H3,(H,24,30)
• InChIKey: LUURDIPNSMEVHO-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 114.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.88
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide?

The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide (CID 38873567) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide.

What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide?

The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide is Cc1c(C#N)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n(Cc2ccco2)c1C.

What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide?

The InChIKey is LUURDIPNSMEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O2/c1-13-14(2)28(11-17-4-3-9-31-17)21(18(13)10-23)24-19(30)12-29-26-20(25-27-29)15-5-7-16(22)8-6-15/h3-9H,11-12H2,1-2H3,(H,24,30).

What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide?

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide has a molecular weight of 435.88 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide is sourced from PubChem (CID 38873567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).