5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

C22H16BrClFN3O3 — CID 19410398

About 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19410398) has the molecular formula C22H16BrClFN3O3 and a molecular weight of 504.74 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19410398
• Molecular Formula: C22H16BrClFN3O3
• Molecular Weight: 504.74 g/mol
• Exact Mass: 503.00
• IUPAC Name: 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(COc2ccc(Br)cc2)o1
• InChI: InChI=1S/C22H16BrClFN3O3/c23-14-4-6-16(7-5-14)30-13-17-8-9-21(31-17)22(29)27-15-10-26-28(11-15)12-18-19(24)2-1-3-20(18)25/h1-11H,12-13H2,(H,27,29)
• InChIKey: QASYRHKRHYVWNX-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.74
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19410398) is 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(COc2ccc(Br)cc2)o1.

What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is QASYRHKRHYVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClFN3O3/c23-14-4-6-16(7-5-14)30-13-17-8-9-21(31-17)22(29)27-15-10-26-28(11-15)12-18-19(24)2-1-3-20(18)25/h1-11H,12-13H2,(H,27,29).

What are the key properties of 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 504.74 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromophenoxy)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19410398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).