N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

C14H19FN2O4 — CID 102499203

IUPACN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H19FN2O4/c15-9-3-1-8(2-4-9)5-12(19)16-6-10-13(20)14(21)11(7-18)17-10/h1-4,10-11,13-14,17-18,20-21H,5-7H2,(H,16,19)/t10-,11-,13-,14+/m1/s1
InChIKeyIXEUZFAEYSCCLB-OXHZDVMGSA-N
MW298.31 g/mol
LogP-1.46
Rot. Bonds5

About N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide

N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 102499203) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID102499203
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H19FN2O4/c15-9-3-1-8(2-4-9)5-12(19)16-6-10-13(20)14(21)11(7-18)17-10/h1-4,10-11,13-14,17-18,20-21H,5-7H2,(H,16,19)/t10-,11-,13-,14+/m1/s1
InChIKeyIXEUZFAEYSCCLB-OXHZDVMGSA-N
XLogP-1.46
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 102499203) is N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IXEUZFAEYSCCLB-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H19FN2O4/c15-9-3-1-8(2-4-9)5-12(19)16-6-10-13(20)14(21)11(7-18)17-10/h1-4,10-11,13-14,17-18,20-21H,5-7H2,(H,16,19)/t10-,11-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide?
N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 298.31 g/mol, XLogP of -1.46, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 102499203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).