(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide

C19H19BrN2O3 — CID 94363922

IUPAC(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-14-8-10-15(11-9-14)25-17(13-5-2-1-3-6-13)19(24)22-16-7-4-12-21-18(16)23/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1
InChIKeyRZGBFNJBXZJXMJ-DLBZAZTESA-N
MW403.28 g/mol
LogP2.96
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide

(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide (PubChem CID 94363922) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
PubChem CID94363922
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-14-8-10-15(11-9-14)25-17(13-5-2-1-3-6-13)19(24)22-16-7-4-12-21-18(16)23/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1
InChIKeyRZGBFNJBXZJXMJ-DLBZAZTESA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide (CID 94363922) is (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide is O=C1NCCC[C@@H]1NC(=O)[C@H](Oc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The InChIKey is RZGBFNJBXZJXMJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-14-8-10-15(11-9-14)25-17(13-5-2-1-3-6-13)19(24)22-16-7-4-12-21-18(16)23/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,21,23)(H,22,24)/t16-,17+/m0/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide has a molecular weight of 403.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 94363922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).