N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide

C8H5BrCl2N2O3 — CID 12622271

IUPACN-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Br)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H5BrCl2N2O3/c1-3(14)12-7-5(10)2-4(9)8(6(7)11)13(15)16/h2H,1H3,(H,12,14)
InChIKeyTVYUBXILPGLIDA-UHFFFAOYSA-N
MW327.95 g/mol
LogP3.62
Rot. Bonds2

About N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide

N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide (PubChem CID 12622271) has the molecular formula C8H5BrCl2N2O3 and a molecular weight of 327.95 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
PubChem CID12622271
Molecular FormulaC8H5BrCl2N2O3
Molecular Weight327.95 g/mol
Exact Mass325.89
IUPAC NameN-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Br)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H5BrCl2N2O3/c1-3(14)12-7-5(10)2-4(9)8(6(7)11)13(15)16/h2H,1H3,(H,12,14)
InChIKeyTVYUBXILPGLIDA-UHFFFAOYSA-N
XLogP3.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042
N-(3,6-dichloro-2-nitrophenyl)acetamide
CID 70604003
N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131861925
N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131862024
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
methyl 4-acetamido-5-chloro-2-hydroxy-3-nitrobenzoate
CID 15125648
N-(6-bromo-4-nitro-2,3-dihydro-1H-inden-5-yl)acetamide
CID 146380434
1-bromo-3,4-dichloro-2-nitrobenzene
CID 118813548
1-(3-bromo-5-chloro-2-nitrophenyl)ethanone
CID 131491583
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide?
The IUPAC name of N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide (CID 12622271) is N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide is CC(=O)Nc1c(Cl)cc(Br)c([N+](=O)[O-])c1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide?
The InChIKey is TVYUBXILPGLIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2N2O3/c1-3(14)12-7-5(10)2-4(9)8(6(7)11)13(15)16/h2H,1H3,(H,12,14).
What are the key properties of N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide?
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide has a molecular weight of 327.95 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 12622271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).