2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide

C24H23N3O5 — CID 55346842

IUPAC2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H23N3O5/c1-3-26(16-23(28)25-19-11-7-8-12-22(19)32-2)20-14-13-18(15-21(20)27(30)31)24(29)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,28)
InChIKeyUEHRUAJWPWUYFH-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.30
Rot. Bonds9

About 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide

2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide (PubChem CID 55346842) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
PubChem CID55346842
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H23N3O5/c1-3-26(16-23(28)25-19-11-7-8-12-22(19)32-2)20-14-13-18(15-21(20)27(30)31)24(29)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,28)
InChIKeyUEHRUAJWPWUYFH-UHFFFAOYSA-N
XLogP4.30
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.30
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'}

Analyze 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-ethyl-2,4-dinitroanilino)-N-(2-methoxyphenyl)acetamide
CID 51160125
2-(N-ethyl-2-nitro-4-piperidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346728
[2-(2-methoxyanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7262008
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-(4-acetyl-N-ethyl-2-nitroanilino)-N-(4-methoxyphenyl)acetamide
CID 9113931
2-(N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 55346767
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
2-(4-benzoyl-N-methyl-2-nitroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 26454015
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4784930
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide (CID 55346842) is 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide?
The InChIKey is UEHRUAJWPWUYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-3-26(16-23(28)25-19-11-7-8-12-22(19)32-2)20-14-13-18(15-21(20)27(30)31)24(29)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide?
2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide has a molecular weight of 433.46 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-N-ethyl-2-nitroanilino)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55346842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).