N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide

C23H19ClN2O5 — CID 4512304

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H19ClN2O5/c1-14-10-15(2)23(20(11-14)26(29)30)31-13-21(27)25-19-9-8-17(24)12-18(19)22(28)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyTWTGNLMAMRWAGC-UHFFFAOYSA-N
MW438.87 g/mol
LogP5.11
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide (PubChem CID 4512304) has the molecular formula C23H19ClN2O5 and a molecular weight of 438.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
PubChem CID4512304
Molecular FormulaC23H19ClN2O5
Molecular Weight438.87 g/mol
Exact Mass438.10
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H19ClN2O5/c1-14-10-15(2)23(20(11-14)26(29)30)31-13-21(27)25-19-9-8-17(24)12-18(19)22(28)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyTWTGNLMAMRWAGC-UHFFFAOYSA-N
XLogP5.11
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.87
LogP ≤ 55.11
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-nitrophenoxy)acetamide
CID 1182886
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512787
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997971
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
N-(4-acetamidophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 23989229
N-(2-benzoyl-4-chlorophenyl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461569
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
CID 1124589

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide (CID 4512304) is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
The InChIKey is TWTGNLMAMRWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5/c1-14-10-15(2)23(20(11-14)26(29)30)31-13-21(27)25-19-9-8-17(24)12-18(19)22(28)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide has a molecular weight of 438.87 g/mol, XLogP of 5.11, 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-(2,4-dimethyl-6-nitrophenoxy)acetamide is sourced from PubChem (CID 4512304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).