(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

C26H26ClFN4O4 — CID 44582206

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCC[C@@]1(O)C[C@H](C(=O)Nc2ccc(-n3cccc(C)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClFN4O4/c1-3-26(36)14-22(32(15-26)25(35)29-18-8-6-17(27)7-9-18)23(33)30-21-11-10-19(13-20(21)28)31-12-4-5-16(2)24(31)34/h4-13,22,36H,3,14-15H2,1-2H3,(H,29,35)(H,30,33)/t22-,26-/m1/s1
InChIKeyLSOZSNOCDGEDMN-ATIYNZHBSA-N
MW512.97 g/mol
LogP4.32
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 44582206) has the molecular formula C26H26ClFN4O4 and a molecular weight of 512.97 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID44582206
Molecular FormulaC26H26ClFN4O4
Molecular Weight512.97 g/mol
Exact Mass512.16
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCC[C@@]1(O)C[C@H](C(=O)Nc2ccc(-n3cccc(C)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C26H26ClFN4O4/c1-3-26(36)14-22(32(15-26)25(35)29-18-8-6-17(27)7-9-18)23(33)30-21-11-10-19(13-20(21)28)31-12-4-5-16(2)24(31)34/h4-13,22,36H,3,14-15H2,1-2H3,(H,29,35)(H,30,33)/t22-,26-/m1/s1
InChIKeyLSOZSNOCDGEDMN-ATIYNZHBSA-N
XLogP4.32
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Eribaxaban
CID 11634458
(2r,4s)-N^1^-(4-Chlorophenyl)-N^2^-[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]-4-Hydroxy-4-Phenylpyrrolidine-1,2-Dicarboxamide
CID 25210469
(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-(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
(R)-N2-(4-Fluorobenzyl)-N1-(4-chlorophenyl)-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25231480
(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
1-(4-Chloro-2-fluorophenyl)-3-[1-[2,6-difluoro-4-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]phenyl]-2-oxopyrrolidin-3-yl]urea
CID 178304904
(2r,4r)-n1-(4-Chlorophenyl)-n2-(2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 57448115

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 44582206) is (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is CC[C@@]1(O)C[C@H](C(=O)Nc2ccc(-n3cccc(C)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is LSOZSNOCDGEDMN-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H26ClFN4O4/c1-3-26(36)14-22(32(15-26)25(35)29-18-8-6-17(27)7-9-18)23(33)30-21-11-10-19(13-20(21)28)31-12-4-5-16(2)24(31)34/h4-13,22,36H,3,14-15H2,1-2H3,(H,29,35)(H,30,33)/t22-,26-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 512.97 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-4-ethyl-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).