(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide

C16H23Br2N3O2 — CID 96528519

IUPAC(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN([C@@H](C)CO)CC1
InChIInChI=1S/C16H23Br2N3O2/c1-11(10-22)20-5-7-21(8-6-20)12(2)16(23)19-15-4-3-13(17)9-14(15)18/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyPEVZOJZDZCOPIT-NWDGAFQWSA-N
MW449.19 g/mol
LogP2.54
Rot. Bonds5

About (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide

(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide (PubChem CID 96528519) has the molecular formula C16H23Br2N3O2 and a molecular weight of 449.19 g/mol. Its IUPAC name is (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide
PubChem CID96528519
Molecular FormulaC16H23Br2N3O2
Molecular Weight449.19 g/mol
Exact Mass447.02
IUPAC Name(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN([C@@H](C)CO)CC1
InChIInChI=1S/C16H23Br2N3O2/c1-11(10-22)20-5-7-21(8-6-20)12(2)16(23)19-15-4-3-13(17)9-14(15)18/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H,19,23)/t11-,12+/m0/s1
InChIKeyPEVZOJZDZCOPIT-NWDGAFQWSA-N
XLogP2.54
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide (CID 96528519) is (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN([C@@H](C)CO)CC1.
What is the InChIKey of (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide?
The InChIKey is PEVZOJZDZCOPIT-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H23Br2N3O2/c1-11(10-22)20-5-7-21(8-6-20)12(2)16(23)19-15-4-3-13(17)9-14(15)18/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H,19,23)/t11-,12+/m0/s1.
What are the key properties of (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide?
(2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide has a molecular weight of 449.19 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dibromophenyl)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 96528519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).