N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide

C24H17Cl3FN3O2 — CID 19409427

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide (PubChem CID 19409427) has the molecular formula C24H17Cl3FN3O2 and a molecular weight of 504.78 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
• PubChem CID: 19409427
• Molecular Formula: C24H17Cl3FN3O2
• Molecular Weight: 504.78 g/mol
• Exact Mass: 503.04
• IUPAC Name: N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
• SMILES: O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cccc(COc2cccc(Cl)c2Cl)c1
• InChI: InChI=1S/C24H17Cl3FN3O2/c25-18-8-4-10-21(22(18)27)33-14-15-5-3-7-16(11-15)24(32)29-23-19(26)13-31(30-23)12-17-6-1-2-9-20(17)28/h1-11,13H,12,14H2,(H,29,30,32)
• InChIKey: ZJZWSURSMUJJEF-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.78
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide?

The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide (CID 19409427) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide.

What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide?

The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide is O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1cccc(COc2cccc(Cl)c2Cl)c1.

What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide?

The InChIKey is ZJZWSURSMUJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3FN3O2/c25-18-8-4-10-21(22(18)27)33-14-15-5-3-7-16(11-15)24(32)29-23-19(26)13-31(30-23)12-17-6-1-2-9-20(17)28/h1-11,13H,12,14H2,(H,29,30,32).

What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide?

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide has a molecular weight of 504.78 g/mol, XLogP of 6.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-[(2,3-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 19409427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).