(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide

C21H23FN2O4 — CID 67578307

IUPAC(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
SMILESO=C(NCc1ccc(F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H23FN2O4/c22-16-10-8-14(9-11-16)13-23-20(27)18(25)19(26)21(28)24-12-4-7-17(24)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,25-26H,4,7,12-13H2,(H,23,27)/t17?,18-,19-/m1/s1
InChIKeyZQADFLSTVVAHLY-OMKBGSMGSA-N
MW386.42 g/mol
LogP1.53
Rot. Bonds6

About (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide

(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (PubChem CID 67578307) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
PubChem CID67578307
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide
SMILESO=C(NCc1ccc(F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H23FN2O4/c22-16-10-8-14(9-11-16)13-23-20(27)18(25)19(26)21(28)24-12-4-7-17(24)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,25-26H,4,7,12-13H2,(H,23,27)/t17?,18-,19-/m1/s1
InChIKeyZQADFLSTVVAHLY-OMKBGSMGSA-N
XLogP1.53
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide (CID 67578307) is (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is O=C(NCc1ccc(F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
The InChIKey is ZQADFLSTVVAHLY-OMKBGSMGSA-N. The full InChI is InChI=1S/C21H23FN2O4/c22-16-10-8-14(9-11-16)13-23-20(27)18(25)19(26)21(28)24-12-4-7-17(24)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-19,25-26H,4,7,12-13H2,(H,23,27)/t17?,18-,19-/m1/s1.
What are the key properties of (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide?
(2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide has a molecular weight of 386.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dihydroxy-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 67578307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).