(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C24H22ClFN4O4 — CID 91227998

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(N)=O)N(C(=O)N(c2ccc(Cl)cc2)c2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C24H22ClFN4O4/c1-34-18-13-21(23(27)32)29(14-18)24(33)30(16-7-5-15(25)6-8-16)20-10-9-17(12-19(20)26)28-11-3-2-4-22(28)31/h2-12,18,21H,13-14H2,1H3,(H2,27,32)/t18-,21-/m1/s1
InChIKeyKRUBAGVROFQRCD-WIYYLYMNSA-N
MW484.92 g/mol
LogP3.46
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 91227998) has the molecular formula C24H22ClFN4O4 and a molecular weight of 484.92 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID91227998
Molecular FormulaC24H22ClFN4O4
Molecular Weight484.92 g/mol
Exact Mass484.13
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCO[C@@H]1C[C@H](C(N)=O)N(C(=O)N(c2ccc(Cl)cc2)c2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C24H22ClFN4O4/c1-34-18-13-21(23(27)32)29(14-18)24(33)30(16-7-5-15(25)6-8-16)20-10-9-17(12-19(20)26)28-11-3-2-4-22(28)31/h2-12,18,21H,13-14H2,1H3,(H2,27,32)/t18-,21-/m1/s1
InChIKeyKRUBAGVROFQRCD-WIYYLYMNSA-N
XLogP3.46
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Eribaxaban
CID 11634458
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 9912033
(2R,4R)-N1-(4-Chlorophenyl)-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
CID 44582204
(2R,4R)-N1-(4-Chlorophenyl)-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxy-4-methylpyrrolidine-1,2-dicarboxamide
CID 44582205
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(3-methyl-2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 44582206
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 44582207
(2R,4R)-N1-(4-Chlorophenyl)-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 44582221
(2R,4R)-N1-(4-Chlorophenyl)-4-ethoxy-4-ethyl-N2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-1,2-dicarboxamide
CID 44582222
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11306315
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 137359279
US11008301, Example 26
CID 154971641

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 91227998) is (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CO[C@@H]1C[C@H](C(N)=O)N(C(=O)N(c2ccc(Cl)cc2)c2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is KRUBAGVROFQRCD-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(23(27)32)29(14-18)24(33)30(16-7-5-15(25)6-8-16)20-10-9-17(12-19(20)26)28-11-3-2-4-22(28)31/h2-12,18,21H,13-14H2,1H3,(H2,27,32)/t18-,21-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 484.92 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 91227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).