4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide

C22H20F2N4O3 — CID 58641411

About 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide

4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide (PubChem CID 58641411) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
• PubChem CID: 58641411
• Molecular Formula: C22H20F2N4O3
• Molecular Weight: 426.42 g/mol
• Exact Mass: 426.15
• IUPAC Name: 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
• SMILES: Cc1nonc1CN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1
• InChI: InChI=1S/C22H20F2N4O3/c1-13-20(26-31-25-13)12-27(2)22(30)28-11-15(18-10-16(23)6-7-19(18)24)9-21(28)14-4-3-5-17(29)8-14/h3-10,21,29H,11-12H2,1-2H3
• InChIKey: NTKZAFALNQMGAZ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 82.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.42
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?

The IUPAC name of 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide (CID 58641411) is 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide.

What is the SMILES notation for 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?

The canonical SMILES for 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide is Cc1nonc1CN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1cccc(O)c1.

What is the InChIKey of 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?

The InChIKey is NTKZAFALNQMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-13-20(26-31-25-13)12-27(2)22(30)28-11-15(18-10-16(23)6-7-19(18)24)9-21(28)14-4-3-5-17(29)8-14/h3-10,21,29H,11-12H2,1-2H3.

What are the key properties of 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?

4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 58641411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).