N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide

C14H10BrN3O5 — CID 3270507

IUPACN-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C14H10BrN3O5/c15-11-3-1-2-4-12(11)16-14(19)7-9-5-6-10(17(20)21)8-13(9)18(22)23/h1-6,8H,7H2,(H,16,19)
InChIKeyFOQHSIJFSYTWMP-UHFFFAOYSA-N
MW380.15 g/mol
LogP3.45
Rot. Bonds5

About N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide

N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide (PubChem CID 3270507) has the molecular formula C14H10BrN3O5 and a molecular weight of 380.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
PubChem CID3270507
Molecular FormulaC14H10BrN3O5
Molecular Weight380.15 g/mol
Exact Mass378.98
IUPAC NameN-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C14H10BrN3O5/c15-11-3-1-2-4-12(11)16-14(19)7-9-5-6-10(17(20)21)8-13(9)18(22)23/h1-6,8H,7H2,(H,16,19)
InChIKeyFOQHSIJFSYTWMP-UHFFFAOYSA-N
XLogP3.45
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 53.45
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-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
N-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 4628926
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
(3E)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 171980690
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
CID 3296693
N-[(2,4-dinitrophenyl)methyl]-2-methylaniline
CID 66221993
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide (CID 3270507) is N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide?
The InChIKey is FOQHSIJFSYTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O5/c15-11-3-1-2-4-12(11)16-14(19)7-9-5-6-10(17(20)21)8-13(9)18(22)23/h1-6,8H,7H2,(H,16,19).
What are the key properties of N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide?
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide has a molecular weight of 380.15 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 3270507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).