(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C24H29FN4O4 — CID 71053724

IUPAC(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C24H29FN4O4/c1-5-33-18-13-21(29(14-18)24(32)26-17-9-6-15(2)7-10-17)22(30)27-20-11-8-16(12-19(20)25)23(31)28(3)4/h6-12,18,21H,5,13-14H2,1-4H3,(H,26,32)(H,27,30)/t18-,21-/m1/s1
InChIKeyUSTFOCWKALATTH-WIYYLYMNSA-N
MW456.52 g/mol
LogP3.49
Rot. Bonds6

About (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 71053724) has the molecular formula C24H29FN4O4 and a molecular weight of 456.52 g/mol. Its IUPAC name is (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID71053724
Molecular FormulaC24H29FN4O4
Molecular Weight456.52 g/mol
Exact Mass456.22
IUPAC Name(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C24H29FN4O4/c1-5-33-18-13-21(29(14-18)24(32)26-17-9-6-15(2)7-10-17)22(30)27-20-11-8-16(12-19(20)25)23(31)28(3)4/h6-12,18,21H,5,13-14H2,1-4H3,(H,26,32)(H,27,30)/t18-,21-/m1/s1
InChIKeyUSTFOCWKALATTH-WIYYLYMNSA-N
XLogP3.49
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 71053724) is (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is CCO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is USTFOCWKALATTH-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H29FN4O4/c1-5-33-18-13-21(29(14-18)24(32)26-17-9-6-15(2)7-10-17)22(30)27-20-11-8-16(12-19(20)25)23(31)28(3)4/h6-12,18,21H,5,13-14H2,1-4H3,(H,26,32)(H,27,30)/t18-,21-/m1/s1.
What are the key properties of (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 456.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71053724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).