(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide

C28H27Cl2FN2O3 — CID 90356940

IUPAC(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide
SMILESCCCC(C(N)=O)N1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C28H27Cl2FN2O3/c1-2-3-23(27(32)34)33-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(28(33)35)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H2,32,34)/t23?,24-,25+,26-/m0/s1
InChIKeyPEXHPPMRPASKOX-VGPBXHGJSA-N
MW529.44 g/mol
LogP6.04
Rot. Bonds8

About (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide

(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide (PubChem CID 90356940) has the molecular formula C28H27Cl2FN2O3 and a molecular weight of 529.44 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide
PubChem CID90356940
Molecular FormulaC28H27Cl2FN2O3
Molecular Weight529.44 g/mol
Exact Mass528.14
IUPAC Name(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide
SMILESCCCC(C(N)=O)N1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C28H27Cl2FN2O3/c1-2-3-23(27(32)34)33-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(28(33)35)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H2,32,34)/t23?,24-,25+,26-/m0/s1
InChIKeyPEXHPPMRPASKOX-VGPBXHGJSA-N
XLogP6.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.44
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide?
The IUPAC name of (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide (CID 90356940) is (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide.
What is the SMILES notation for (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide?
The canonical SMILES for (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide is CCCC(C(N)=O)N1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide?
The InChIKey is PEXHPPMRPASKOX-VGPBXHGJSA-N. The full InChI is InChI=1S/C28H27Cl2FN2O3/c1-2-3-23(27(32)34)33-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(28(33)35)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H2,32,34)/t23?,24-,25+,26-/m0/s1.
What are the key properties of (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide?
(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide has a molecular weight of 529.44 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(4-fluorophenyl)methyl]-5-oxomorpholin-4-yl]pentanamide is sourced from PubChem (CID 90356940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).