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

C16H15ClN2O5 — CID 1351291

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-23-14-9-12(15(24-2)8-11(14)17)18-16(20)7-10-5-3-4-6-13(10)19(21)22/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyBOPQUHOFYQHRLG-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.45
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 1351291) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID1351291
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-23-14-9-12(15(24-2)8-11(14)17)18-16(20)7-10-5-3-4-6-13(10)19(21)22/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyBOPQUHOFYQHRLG-UHFFFAOYSA-N
XLogP3.45
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.45
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-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
N-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)acetamide
CID 62909951
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619519
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 46422627
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765919

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide (CID 1351291) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide is COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is BOPQUHOFYQHRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-23-14-9-12(15(24-2)8-11(14)17)18-16(20)7-10-5-3-4-6-13(10)19(21)22/h3-6,8-9H,7H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 350.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 1351291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).