(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C27H25FN4O3 — CID 67591409

IUPAC(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3C#N)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C27H25FN4O3/c1-17-7-10-20(11-8-17)30-27(34)32-16-21(35-2)14-25(32)26(33)31-24-12-9-18(13-23(24)28)22-6-4-3-5-19(22)15-29/h3-13,21,25H,14,16H2,1-2H3,(H,30,34)(H,31,33)/t21-,25-/m1/s1
InChIKeyBHFJQYXYXLDTNZ-PXDATVDWSA-N
MW472.52 g/mol
LogP4.93
Rot. Bonds5

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

(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 67591409) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID67591409
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3C#N)cc2F)N(C(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C27H25FN4O3/c1-17-7-10-20(11-8-17)30-27(34)32-16-21(35-2)14-25(32)26(33)31-24-12-9-18(13-23(24)28)22-6-4-3-5-19(22)15-29/h3-13,21,25H,14,16H2,1-2H3,(H,30,34)(H,31,33)/t21-,25-/m1/s1
InChIKeyBHFJQYXYXLDTNZ-PXDATVDWSA-N
XLogP4.93
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.93
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-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 67591409) is (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3C#N)cc2F)N(C(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BHFJQYXYXLDTNZ-PXDATVDWSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-17-7-10-20(11-8-17)30-27(34)32-16-21(35-2)14-25(32)26(33)31-24-12-9-18(13-23(24)28)22-6-4-3-5-19(22)15-29/h3-13,21,25H,14,16H2,1-2H3,(H,30,34)(H,31,33)/t21-,25-/m1/s1.
What are the key properties of (2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-N-[4-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.93, 5 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-(2-cyanophenyl)-2-fluorophenyl]-4-methoxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 67591409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).