N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

C24H29FN6O3 — CID 3180019

About N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (PubChem CID 3180019) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
• PubChem CID: 3180019
• Molecular Formula: C24H29FN6O3
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.23
• IUPAC Name: N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
• SMILES: CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(F)c1
• InChI: InChI=1S/C24H29FN6O3/c1-3-7-20(24(33)26-18-9-4-5-10-18)31(19-11-6-8-17(25)14-19)22(32)15-30-28-23(27-29-30)21-13-12-16(2)34-21/h6,8,11-14,18,20H,3-5,7,9-10,15H2,1-2H3,(H,26,33)
• InChIKey: ZNYLBVFXHQKDQZ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (CID 3180019) is N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(F)c1.

What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The InChIKey is ZNYLBVFXHQKDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-3-7-20(24(33)26-18-9-4-5-10-18)31(19-11-6-8-17(25)14-19)22(32)15-30-28-23(27-29-30)21-13-12-16(2)34-21/h6,8,11-14,18,20H,3-5,7,9-10,15H2,1-2H3,(H,26,33).

What are the key properties of N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide has a molecular weight of 468.53 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is sourced from PubChem (CID 3180019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).