N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide

C17H16ClN3O6 — CID 8587959

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H16ClN3O6/c1-10(22)19-11-3-5-16(26-2)14(7-11)20-17(23)9-27-15-6-4-12(21(24)25)8-13(15)18/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFJTOGUCPSKCOTD-UHFFFAOYSA-N
MW393.78 g/mol
LogP3.23
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (PubChem CID 8587959) has the molecular formula C17H16ClN3O6 and a molecular weight of 393.78 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
PubChem CID8587959
Molecular FormulaC17H16ClN3O6
Molecular Weight393.78 g/mol
Exact Mass393.07
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H16ClN3O6/c1-10(22)19-11-3-5-16(26-2)14(7-11)20-17(23)9-27-15-6-4-12(21(24)25)8-13(15)18/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFJTOGUCPSKCOTD-UHFFFAOYSA-N
XLogP3.23
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (CID 8587959) is N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The InChIKey is FJTOGUCPSKCOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6/c1-10(22)19-11-3-5-16(26-2)14(7-11)20-17(23)9-27-15-6-4-12(21(24)25)8-13(15)18/h3-8H,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide has a molecular weight of 393.78 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 8587959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).