(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide

C21H31FN2O3 — CID 173121083

IUPAC(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C21H31FN2O3/c1-21(22,20(23)27)12-11-17(19(26)24-13-5-6-14-24)15-18(25)10-9-16-7-3-2-4-8-16/h2-4,7-8,17-18,25H,5-6,9-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1
InChIKeySFOOTGGISNXFCW-IZKAZRHKSA-N
MW378.49 g/mol
LogP2.60
Rot. Bonds10

About (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide

(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide (PubChem CID 173121083) has the molecular formula C21H31FN2O3 and a molecular weight of 378.49 g/mol. Its IUPAC name is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide.

Molecular Properties

Compound Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide
PubChem CID173121083
Molecular FormulaC21H31FN2O3
Molecular Weight378.49 g/mol
Exact Mass378.23
IUPAC Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C21H31FN2O3/c1-21(22,20(23)27)12-11-17(19(26)24-13-5-6-14-24)15-18(25)10-9-16-7-3-2-4-8-16/h2-4,7-8,17-18,25H,5-6,9-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1
InChIKeySFOOTGGISNXFCW-IZKAZRHKSA-N
XLogP2.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide 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 (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide?
The IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide (CID 173121083) is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide.
What is the SMILES notation for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide?
The canonical SMILES for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide is CC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)N1CCCC1)C(N)=O.
What is the InChIKey of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide?
The InChIKey is SFOOTGGISNXFCW-IZKAZRHKSA-N. The full InChI is InChI=1S/C21H31FN2O3/c1-21(22,20(23)27)12-11-17(19(26)24-13-5-6-14-24)15-18(25)10-9-16-7-3-2-4-8-16/h2-4,7-8,17-18,25H,5-6,9-15H2,1H3,(H2,23,27)/t17-,18+,21?/m1/s1.
What are the key properties of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide?
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide has a molecular weight of 378.49 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-9-phenyl-5-(pyrrolidine-1-carbonyl)nonanamide is sourced from PubChem (CID 173121083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).