(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C23H25ClN4O5 — CID 142677839

IUPAC(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1C[C@H](O)C[C@]1(C(=O)Nc1ccc(N2CCOCCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O5/c24-16-3-1-15(2-4-16)23(13-19(29)14-28(23)22(25)32)21(31)26-17-5-7-18(8-6-17)27-10-12-33-11-9-20(27)30/h1-8,19,29H,9-14H2,(H2,25,32)(H,26,31)/t19-,23-/m1/s1
InChIKeyGTPGAAUALCNWEM-AUSIDOKSSA-N
MW472.93 g/mol
LogP2.07
Rot. Bonds4

About (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide

(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 142677839) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID142677839
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESNC(=O)N1C[C@H](O)C[C@]1(C(=O)Nc1ccc(N2CCOCCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O5/c24-16-3-1-15(2-4-16)23(13-19(29)14-28(23)22(25)32)21(31)26-17-5-7-18(8-6-17)27-10-12-33-11-9-20(27)30/h1-8,19,29H,9-14H2,(H2,25,32)(H,26,31)/t19-,23-/m1/s1
InChIKeyGTPGAAUALCNWEM-AUSIDOKSSA-N
XLogP2.07
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(4-chlorophenyl)-4-hydroxy-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87632031
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
6-N-(4-chlorophenyl)-5-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-oxa-6-azaspiro[2.4]heptane-5,6-dicarboxamide
CID 11547325
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 92918138
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(2R,4S)-1-N-(4-chlorophenyl)-4-ethynyl-4-hydroxy-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11283079
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721
1-(6-oxaspiro[2.5]octan-2-yl)-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
CID 128625442
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide
CID 69437433
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 142677839) is (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide is NC(=O)N1C[C@H](O)C[C@]1(C(=O)Nc1ccc(N2CCOCCC2=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is GTPGAAUALCNWEM-AUSIDOKSSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c24-16-3-1-15(2-4-16)23(13-19(29)14-28(23)22(25)32)21(31)26-17-5-7-18(8-6-17)27-10-12-33-11-9-20(27)30/h1-8,19,29H,9-14H2,(H2,25,32)(H,26,31)/t19-,23-/m1/s1.
What are the key properties of (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 472.93 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-chlorophenyl)-4-hydroxy-2-N-[4-(5-oxo-1,4-oxazepan-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 142677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).