N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C14H18BrN3O4 — CID 4875561

IUPACN-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC(C)O1
InChIInChI=1S/C14H18BrN3O4/c1-9-6-17(7-10(2)22-9)8-14(19)16-13-4-3-11(18(20)21)5-12(13)15/h3-5,9-10H,6-8H2,1-2H3,(H,16,19)
InChIKeyJKICJQKNLPETJK-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.40
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 4875561) has the molecular formula C14H18BrN3O4 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID4875561
Molecular FormulaC14H18BrN3O4
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC(C)O1
InChIInChI=1S/C14H18BrN3O4/c1-9-6-17(7-10(2)22-9)8-14(19)16-13-4-3-11(18(20)21)5-12(13)15/h3-5,9-10H,6-8H2,1-2H3,(H,16,19)
InChIKeyJKICJQKNLPETJK-UHFFFAOYSA-N
XLogP2.40
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2960780
2-(azepan-1-yl)-N-(2-bromo-4-nitrophenyl)acetamide
CID 4875011
N-(3-bromophenyl)-2-morpholinoacetamide
CID 2215384
N-(2-bromo-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 2960496
2-(4-acetylpiperazin-1-yl)-N-(2-bromo-4-nitrophenyl)acetamide
CID 4209482
2-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832812
4-Morpholineacetamide, N-(2-bromophenyl)-, monohydrochloride
CID 3072661
N-(2-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4403315
2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4879333
N-(5-(Bis(2-methoxyethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)phenyl)acetamide
CID 117554
N-(2-Bromophenyl)-2-morpholinoacetamide
CID 2697536

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 4875561) is N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC(C)O1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is JKICJQKNLPETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O4/c1-9-6-17(7-10(2)22-9)8-14(19)16-13-4-3-11(18(20)21)5-12(13)15/h3-5,9-10H,6-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 372.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 4875561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).