N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide

C15H18Br2N2O3 — CID 29080115

IUPACN-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide
SMILESCCCN1CCO[C@@H](CC(=O)Nc2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C15H18Br2N2O3/c1-2-5-19-6-7-22-13(15(19)21)9-14(20)18-12-4-3-10(16)8-11(12)17/h3-4,8,13H,2,5-7,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyUQYUIYRMXIRQTO-ZDUSSCGKSA-N
MW434.13 g/mol
LogP3.18
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide

N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide (PubChem CID 29080115) has the molecular formula C15H18Br2N2O3 and a molecular weight of 434.13 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide
PubChem CID29080115
Molecular FormulaC15H18Br2N2O3
Molecular Weight434.13 g/mol
Exact Mass431.97
IUPAC NameN-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide
SMILESCCCN1CCO[C@@H](CC(=O)Nc2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C15H18Br2N2O3/c1-2-5-19-6-7-22-13(15(19)21)9-14(20)18-12-4-3-10(16)8-11(12)17/h3-4,8,13H,2,5-7,9H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyUQYUIYRMXIRQTO-ZDUSSCGKSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
N-(2,4-dibromophenyl)hexanamide
CID 4251482
2-(4-ethyl-3-oxomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2955032
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
N-(2,4-dibromophenyl)-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 118382196
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
N-(2,4-dibromophenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46687581
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5226426

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide (CID 29080115) is N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide is CCCN1CCO[C@@H](CC(=O)Nc2ccc(Br)cc2Br)C1=O.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide?
The InChIKey is UQYUIYRMXIRQTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18Br2N2O3/c1-2-5-19-6-7-22-13(15(19)21)9-14(20)18-12-4-3-10(16)8-11(12)17/h3-4,8,13H,2,5-7,9H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide?
N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide has a molecular weight of 434.13 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide is sourced from PubChem (CID 29080115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).