(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide

C21H31FN2O4 — CID 173120879

IUPAC(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C21H31FN2O4/c1-21(22,20(23)27)10-9-17(19(26)24-11-13-28-14-12-24)15-18(25)8-7-16-5-3-2-4-6-16/h2-6,17-18,25H,7-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1
InChIKeyQFAZLRFSXXDJQM-IZKAZRHKSA-N
MW394.49 g/mol
LogP1.84
Rot. Bonds10

About (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide

(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide (PubChem CID 173120879) has the molecular formula C21H31FN2O4 and a molecular weight of 394.49 g/mol. Its IUPAC name is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide.

Molecular Properties

Compound Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide
PubChem CID173120879
Molecular FormulaC21H31FN2O4
Molecular Weight394.49 g/mol
Exact Mass394.23
IUPAC Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C21H31FN2O4/c1-21(22,20(23)27)10-9-17(19(26)24-11-13-28-14-12-24)15-18(25)8-7-16-5-3-2-4-6-16/h2-6,17-18,25H,7-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1
InChIKeyQFAZLRFSXXDJQM-IZKAZRHKSA-N
XLogP1.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide?
The IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide (CID 173120879) is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide.
What is the SMILES notation for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide?
The canonical SMILES for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide is CC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCOCC1)C(N)=O.
What is the InChIKey of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide?
The InChIKey is QFAZLRFSXXDJQM-IZKAZRHKSA-N. The full InChI is InChI=1S/C21H31FN2O4/c1-21(22,20(23)27)10-9-17(19(26)24-11-13-28-14-12-24)15-18(25)8-7-16-5-3-2-4-6-16/h2-6,17-18,25H,7-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1.
What are the key properties of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide?
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide has a molecular weight of 394.49 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(morpholine-4-carbonyl)-9-phenylnonanamide is sourced from PubChem (CID 173120879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).