N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide

C12H14BrN3O4 — CID 2960780

IUPACN-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H14BrN3O4/c13-10-7-9(16(18)19)1-2-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyFQUYQZIFBQYCNB-UHFFFAOYSA-N
MW344.17 g/mol
LogP1.63
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide

N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide (PubChem CID 2960780) has the molecular formula C12H14BrN3O4 and a molecular weight of 344.17 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide
PubChem CID2960780
Molecular FormulaC12H14BrN3O4
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C12H14BrN3O4/c13-10-7-9(16(18)19)1-2-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyFQUYQZIFBQYCNB-UHFFFAOYSA-N
XLogP1.63
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 51.63
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
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
N-(2-bromo-4-nitrophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4875561
N-(4-bromophenyl)-2-morpholinoacetamide
CID 687266
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
N-(4-bromo-2-nitrophenyl)-2-(1-piperidinyl)acetamide
CID 2946553
4-(5-Bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
4-Morpholineacetamide, N-(2-bromophenyl)-, monohydrochloride
CID 3072661

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide (CID 2960780) is N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is FQUYQZIFBQYCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4/c13-10-7-9(16(18)19)1-2-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide?
N-(2-bromo-4-nitrophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 344.17 g/mol, XLogP of 1.63, 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-morpholin-4-ylacetamide is sourced from PubChem (CID 2960780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).