2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide

C16H15ClN2O6 — CID 2513285

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C16H15ClN2O6/c1-23-11-4-6-15(24-2)13(8-11)18-16(20)9-25-14-5-3-10(19(21)22)7-12(14)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyXZJNZNFGHSHIBA-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 2513285) has the molecular formula C16H15ClN2O6 and a molecular weight of 366.76 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID2513285
Molecular FormulaC16H15ClN2O6
Molecular Weight366.76 g/mol
Exact Mass366.06
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1
InChIInChI=1S/C16H15ClN2O6/c1-23-11-4-6-15(24-2)13(8-11)18-16(20)9-25-14-5-3-10(19(21)22)7-12(14)17/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyXZJNZNFGHSHIBA-UHFFFAOYSA-N
XLogP3.28
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
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
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 30395020
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816
2-(2-chloro-4-nitrophenoxy)-N-(2-iodophenyl)acetamide
CID 35942555
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide (CID 2513285) is 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is XZJNZNFGHSHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6/c1-23-11-4-6-15(24-2)13(8-11)18-16(20)9-25-14-5-3-10(19(21)22)7-12(14)17/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 366.76 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2513285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).