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

C12H14BrN3O4 — CID 2960367

IUPACN-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14BrN3O4/c13-9-1-2-10(11(7-9)16(18)19)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyAIAVXIGNXMFVHW-UHFFFAOYSA-N
MW344.17 g/mol
LogP1.63
Rot. Bonds4

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

N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide (PubChem CID 2960367) has the molecular formula C12H14BrN3O4 and a molecular weight of 344.17 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
PubChem CID2960367
Molecular FormulaC12H14BrN3O4
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C12H14BrN3O4/c13-9-1-2-10(11(7-9)16(18)19)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)
InChIKeyAIAVXIGNXMFVHW-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

N-(4-bromo-2-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2959932
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)-2-nitroaniline
CID 60964780
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
CID 2887867
[2-(4-bromo-2-nitroanilino)-2-oxoethyl]-dimethylazanium
CID 7479180
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
(4-bromo-2-nitrophenyl)urea
CID 54074030
2-(4-aminophenyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 43711570
N-(4-cyano-2-nitrophenyl)-2-piperazin-1-ylacetamide
CID 78965169
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 29325726
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide (CID 2960367) is N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is AIAVXIGNXMFVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4/c13-9-1-2-10(11(7-9)16(18)19)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-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide?
N-(4-bromo-2-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-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2960367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).