N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide

C16H13ClN2O5 — CID 2513244

IUPACN-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C16H13ClN2O5/c1-10(20)11-3-2-4-12(7-11)18-16(21)9-24-15-6-5-13(19(22)23)8-14(15)17/h2-8H,9H2,1H3,(H,18,21)
InChIKeyZBMWVBLSYLYXCZ-UHFFFAOYSA-N
MW348.74 g/mol
LogP3.47
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide

N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (PubChem CID 2513244) has the molecular formula C16H13ClN2O5 and a molecular weight of 348.74 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
PubChem CID2513244
Molecular FormulaC16H13ClN2O5
Molecular Weight348.74 g/mol
Exact Mass348.05
IUPAC NameN-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C16H13ClN2O5/c1-10(20)11-3-2-4-12(7-11)18-16(21)9-24-15-6-5-13(19(22)23)8-14(15)17/h2-8H,9H2,1H3,(H,18,21)
InChIKeyZBMWVBLSYLYXCZ-UHFFFAOYSA-N
XLogP3.47
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.47
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-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8587877
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
[2-(3-nitroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539798
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (CID 2513244) is N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The InChIKey is ZBMWVBLSYLYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5/c1-10(20)11-3-2-4-12(7-11)18-16(21)9-24-15-6-5-13(19(22)23)8-14(15)17/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide has a molecular weight of 348.74 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 2513244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).