(2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide

C33H37Cl2F2N3O3 — CID 174372473

About (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide

(2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 174372473) has the molecular formula C33H37Cl2F2N3O3 and a molecular weight of 632.58 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide
• PubChem CID: 174372473
• Molecular Formula: C33H37Cl2F2N3O3
• Molecular Weight: 632.58 g/mol
• Exact Mass: 631.22
• IUPAC Name: (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide
• SMILES: CCNC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@](C)(c3ccc(Cl)cc3F)[C@H]2c2cccc(Cl)c2F)c(OC)c1
• InChI: InChI=1S/C33H37Cl2F2N3O3/c1-7-38-30(41)18-11-14-24(25(15-18)43-6)39-31(42)29-27(20-9-8-10-22(35)28(20)37)33(5,26(40-29)17-32(2,3)4)21-13-12-19(34)16-23(21)36/h8-16,26-27,29,40H,7,17H2,1-6H3,(H,38,41)(H,39,42)/t26-,27-,29+,33-/m0/s1
• InChIKey: NQLGVSNFLLSSOS-HNZCNSHZSA-N
• XLogP: 7.49
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.58
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide?

The IUPAC name of (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide (CID 174372473) is (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide?

The canonical SMILES for (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide is CCNC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@](C)(c3ccc(Cl)cc3F)[C@H]2c2cccc(Cl)c2F)c(OC)c1.

What is the InChIKey of (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide?

The InChIKey is NQLGVSNFLLSSOS-HNZCNSHZSA-N. The full InChI is InChI=1S/C33H37Cl2F2N3O3/c1-7-38-30(41)18-11-14-24(25(15-18)43-6)39-31(42)29-27(20-9-8-10-22(35)28(20)37)33(5,26(40-29)17-32(2,3)4)21-13-12-19(34)16-23(21)36/h8-16,26-27,29,40H,7,17H2,1-6H3,(H,38,41)(H,39,42)/t26-,27-,29+,33-/m0/s1.

What are the key properties of (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide?

(2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 632.58 g/mol, XLogP of 7.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[4-(ethylcarbamoyl)-2-methoxyphenyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 174372473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).