N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide

C26H21ClN4O4 — CID 55897315

About N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide

N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide (PubChem CID 55897315) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide.

Molecular Properties

• Compound Name: N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide
• PubChem CID: 55897315
• Molecular Formula: C26H21ClN4O4
• Molecular Weight: 488.93 g/mol
• Exact Mass: 488.13
• IUPAC Name: N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide
• SMILES: O=C(Nc1ccccc1NCC(=O)N1N=C(c2ccco2)CC1c1ccco1)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H21ClN4O4/c27-18-11-9-17(10-12-18)26(33)29-20-6-2-1-5-19(20)28-16-25(32)31-22(24-8-4-14-35-24)15-21(30-31)23-7-3-13-34-23/h1-14,22,28H,15-16H2,(H,29,33)
• InChIKey: OTXHGXJQHUCANS-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 100.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.93
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide?

The IUPAC name of N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide (CID 55897315) is N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide.

What is the SMILES notation for N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide?

The canonical SMILES for N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide is O=C(Nc1ccccc1NCC(=O)N1N=C(c2ccco2)CC1c1ccco1)c1ccc(Cl)cc1.

What is the InChIKey of N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide?

The InChIKey is OTXHGXJQHUCANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c27-18-11-9-17(10-12-18)26(33)29-20-6-2-1-5-19(20)28-16-25(32)31-22(24-8-4-14-35-24)15-21(30-31)23-7-3-13-34-23/h1-14,22,28H,15-16H2,(H,29,33).

What are the key properties of N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide?

N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide has a molecular weight of 488.93 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 55897315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).