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

C8H6Cl2N2O3 — CID 70604003

IUPACN-(3,6-dichloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-5(9)2-3-6(10)8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeySTPIUWRYFAWNHQ-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.86
Rot. Bonds2

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

N-(3,6-dichloro-2-nitrophenyl)acetamide (PubChem CID 70604003) has the molecular formula C8H6Cl2N2O3 and a molecular weight of 249.05 g/mol. Its IUPAC name is N-(3,6-dichloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3,6-dichloro-2-nitrophenyl)acetamide
PubChem CID70604003
Molecular FormulaC8H6Cl2N2O3
Molecular Weight249.05 g/mol
Exact Mass247.98
IUPAC NameN-(3,6-dichloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1c(Cl)ccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-5(9)2-3-6(10)8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeySTPIUWRYFAWNHQ-UHFFFAOYSA-N
XLogP2.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.86
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-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
methyl 4-acetamido-5-chloro-2-hydroxy-3-nitrobenzoate
CID 15125648
N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131861925
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3,4-dichloro-2-nitrobenzoic acid
CID 20516693
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243
2-(4-chloro-2-methyl-3-nitrophenyl)acetic acid
CID 118833851
1-(3-amino-4-chloro-2-nitrophenyl)ethanone
CID 13355782
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-2-nitrophenyl)acetamide?
The IUPAC name of N-(3,6-dichloro-2-nitrophenyl)acetamide (CID 70604003) is N-(3,6-dichloro-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3,6-dichloro-2-nitrophenyl)acetamide?
The canonical SMILES for N-(3,6-dichloro-2-nitrophenyl)acetamide is CC(=O)Nc1c(Cl)ccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of N-(3,6-dichloro-2-nitrophenyl)acetamide?
The InChIKey is STPIUWRYFAWNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-5(9)2-3-6(10)8(7)12(14)15/h2-3H,1H3,(H,11,13).
What are the key properties of N-(3,6-dichloro-2-nitrophenyl)acetamide?
N-(3,6-dichloro-2-nitrophenyl)acetamide has a molecular weight of 249.05 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 70604003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).