N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide

C27H27FN6O3 — CID 3688712

About N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide

N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide (PubChem CID 3688712) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide
• PubChem CID: 3688712
• Molecular Formula: C27H27FN6O3
• Molecular Weight: 502.55 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide
• SMILES: Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(C(=O)NC2CCCC2)c2ccco2)c1
• InChI: InChI=1S/C27H27FN6O3/c1-18-6-4-9-22(16-18)34(25(23-10-5-15-37-23)27(36)29-21-7-2-3-8-21)24(35)17-33-31-26(30-32-33)19-11-13-20(28)14-12-19/h4-6,9-16,21,25H,2-3,7-8,17H2,1H3,(H,29,36)
• InChIKey: YGNDBYQDLYKSCV-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.55
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide?

The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide (CID 3688712) is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide?

The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide is Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(C(=O)NC2CCCC2)c2ccco2)c1.

What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide?

The InChIKey is YGNDBYQDLYKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-18-6-4-9-22(16-18)34(25(23-10-5-15-37-23)27(36)29-21-7-2-3-8-21)24(35)17-33-31-26(30-32-33)19-11-13-20(28)14-12-19/h4-6,9-16,21,25H,2-3,7-8,17H2,1H3,(H,29,36).

What are the key properties of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide?

N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide has a molecular weight of 502.55 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3688712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).