N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide

C41H33Cl2F10N7O4 — CID 161020278

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 161020278) has the molecular formula C41H33Cl2F10N7O4 and a molecular weight of 948.65 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide
• PubChem CID: 161020278
• Molecular Formula: C41H33Cl2F10N7O4
• Molecular Weight: 948.65 g/mol
• Exact Mass: 947.18
• IUPAC Name: N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide
• SMILES: NCC(=O)c1ccc(CN(C(=O)N2CCC(F)(F)C2)c2ccc(F)c(Cl)c2)c(F)c1.O=C(N1CCC(F)(F)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1
• InChI: InChI=1S/C21H15ClF6N4O2.C20H18ClF4N3O2/c22-14-8-13(3-4-15(14)23)32(20(33)31-6-5-21(27,28)10-31)9-12-2-1-11(7-16(12)24)18-29-30-19(34-18)17(25)26;21-15-8-14(3-4-16(15)22)28(19(30)27-6-5-20(24,25)11-27)10-13-2-1-12(7-17(13)23)18(29)9-26/h1-4,7-8,17H,5-6,9-10H2;1-4,7-8H,5-6,9-11,26H2
• InChIKey: TYGSPTUKJQLTFU-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 129.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.65
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide?

The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide (CID 161020278) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide.

What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide?

The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CCC(F)(F)C2)c2ccc(F)c(Cl)c2)c(F)c1.O=C(N1CCC(F)(F)C1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1ccc(F)c(Cl)c1.

What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide?

The InChIKey is TYGSPTUKJQLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF6N4O2.C20H18ClF4N3O2/c22-14-8-13(3-4-15(14)23)32(20(33)31-6-5-21(27,28)10-31)9-12-2-1-11(7-16(12)24)18-29-30-19(34-18)17(25)26;21-15-8-14(3-4-16(15)22)28(19(30)27-6-5-20(24,25)11-27)10-13-2-1-12(7-17(13)23)18(29)9-26/h1-4,7-8,17H,5-6,9-10H2;1-4,7-8H,5-6,9-11,26H2.

What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide?

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 948.65 g/mol, XLogP of 10.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide;N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 161020278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).