2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide

C15H13ClN2O4 — CID 2892197

IUPAC2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-9-12(18(20)21)6-7-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyJTZJRJOQHVKVBR-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 2892197) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID2892197
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-9-12(18(20)21)6-7-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyJTZJRJOQHVKVBR-UHFFFAOYSA-N
XLogP3.44
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 2892197) is 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is JTZJRJOQHVKVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-14-9-12(18(20)21)6-7-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 320.73 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 2892197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).