(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

C18H17ClFN3O3 — CID 137359279

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFN3O3/c19-11-5-7-12(8-6-11)21-18(26)23-10-13(24)9-16(23)17(25)22-15-4-2-1-3-14(15)20/h1-8,13,16,24H,9-10H2,(H,21,26)(H,22,25)/t13-,16-/m1/s1
InChIKeyYIUKCJACECLDEF-CZUORRHYSA-N
MW377.80 g/mol
LogP3.08
Rot. Bonds3

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 137359279) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID137359279
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFN3O3/c19-11-5-7-12(8-6-11)21-18(26)23-10-13(24)9-16(23)17(25)22-15-4-2-1-3-14(15)20/h1-8,13,16,24H,9-10H2,(H,21,26)(H,22,25)/t13-,16-/m1/s1
InChIKeyYIUKCJACECLDEF-CZUORRHYSA-N
XLogP3.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
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CID 774378
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 3231144
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11306315
(R)-N2-(4-Chlorobenzyl)-N1-(4-chlorophenyl)-N2-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide
CID 25233947
1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 137359279) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is O=C(Nc1ccccc1F)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is YIUKCJACECLDEF-CZUORRHYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-11-5-7-12(8-6-11)21-18(26)23-10-13(24)9-16(23)17(25)22-15-4-2-1-3-14(15)20/h1-8,13,16,24H,9-10H2,(H,21,26)(H,22,25)/t13-,16-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 377.80 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 137359279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).