(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide

C19H19BrN2O4 — CID 25305379

IUPAC(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O
InChIInChI=1S/C19H19BrN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25)/t15-,17+/m0/s1
InChIKeyFXJXOFBLDIFFGX-DOTOQJQBSA-N
MW419.28 g/mol
LogP2.33
Rot. Bonds6

About (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide

(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 25305379) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID25305379
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O
InChIInChI=1S/C19H19BrN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25)/t15-,17+/m0/s1
InChIKeyFXJXOFBLDIFFGX-DOTOQJQBSA-N
XLogP2.33
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7317913
2-(4-bromophenyl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 82124945
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
4-bromo-N-[(1S)-2,2,2-trichloro-1-[[(2R)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1243139
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94027230

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide (CID 25305379) is (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide is O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O.
What is the InChIKey of (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is FXJXOFBLDIFFGX-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25)/t15-,17+/m0/s1.
What are the key properties of (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide?
(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 419.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 25305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).