3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide

C19H18ClFN2O4 — CID 56774904

IUPAC3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
SMILESCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H18ClFN2O4/c1-23-16(9-27-10-17(23)24)18(25)11-2-5-13(6-3-11)22-19(26)12-4-7-15(21)14(20)8-12/h2-8,16,18,25H,9-10H2,1H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyAXQVTXSCSOFVRK-SJLPKXTDSA-N
MW392.81 g/mol
LogP2.62
Rot. Bonds4

About 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide

3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide (PubChem CID 56774904) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
PubChem CID56774904
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
SMILESCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H18ClFN2O4/c1-23-16(9-27-10-17(23)24)18(25)11-2-5-13(6-3-11)22-19(26)12-4-7-15(21)14(20)8-12/h2-8,16,18,25H,9-10H2,1H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyAXQVTXSCSOFVRK-SJLPKXTDSA-N
XLogP2.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide (CID 56774904) is 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide is CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The InChIKey is AXQVTXSCSOFVRK-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-23-16(9-27-10-17(23)24)18(25)11-2-5-13(6-3-11)22-19(26)12-4-7-15(21)14(20)8-12/h2-8,16,18,25H,9-10H2,1H3,(H,22,26)/t16-,18-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide has a molecular weight of 392.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 56774904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).