N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide

C21H15ClN2O5 — CID 1182886

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H15ClN2O5/c22-15-10-11-17(16(12-15)21(26)14-6-2-1-3-7-14)23-20(25)13-29-19-9-5-4-8-18(19)24(27)28/h1-12H,13H2,(H,23,25)
InChIKeyILNBLTVYAOCRPP-UHFFFAOYSA-N
MW410.81 g/mol
LogP4.50
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 1182886) has the molecular formula C21H15ClN2O5 and a molecular weight of 410.81 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID1182886
Molecular FormulaC21H15ClN2O5
Molecular Weight410.81 g/mol
Exact Mass410.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H15ClN2O5/c22-15-10-11-17(16(12-15)21(26)14-6-2-1-3-7-14)23-20(25)13-29-19-9-5-4-8-18(19)24(27)28/h1-12H,13H2,(H,23,25)
InChIKeyILNBLTVYAOCRPP-UHFFFAOYSA-N
XLogP4.50
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 54.50
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-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512304
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202630

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide (CID 1182886) is N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is ILNBLTVYAOCRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5/c22-15-10-11-17(16(12-15)21(26)14-6-2-1-3-7-14)23-20(25)13-29-19-9-5-4-8-18(19)24(27)28/h1-12H,13H2,(H,23,25).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 410.81 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1182886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).