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

C16H15ClN2O6 — CID 31728423

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H15ClN2O6/c1-23-11-4-5-12(15(8-11)24-2)18-16(20)9-25-14-6-3-10(17)7-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyBXQMOJVPWVWGHY-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.28
Rot. Bonds7

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

2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 31728423) has the molecular formula C16H15ClN2O6 and a molecular weight of 366.76 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID31728423
Molecular FormulaC16H15ClN2O6
Molecular Weight366.76 g/mol
Exact Mass366.06
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H15ClN2O6/c1-23-11-4-5-12(15(8-11)24-2)18-16(20)9-25-14-6-3-10(17)7-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyBXQMOJVPWVWGHY-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-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 29142984

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide (CID 31728423) is 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is BXQMOJVPWVWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6/c1-23-11-4-5-12(15(8-11)24-2)18-16(20)9-25-14-6-3-10(17)7-13(14)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(2,4-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-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 31728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).