4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide

C16H14Cl2N4O4 — CID 27807402

IUPAC4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14Cl2N4O4/c1-21(8-14(23)20-15-10(17)3-2-4-11(15)18)16(24)9-5-6-12(19)13(7-9)22(25)26/h2-7H,8,19H2,1H3,(H,20,23)
InChIKeyVKUHUETVJPQAOW-UHFFFAOYSA-N
MW397.22 g/mol
LogP3.19
Rot. Bonds5

About 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide

4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide (PubChem CID 27807402) has the molecular formula C16H14Cl2N4O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
PubChem CID27807402
Molecular FormulaC16H14Cl2N4O4
Molecular Weight397.22 g/mol
Exact Mass396.04
IUPAC Name4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14Cl2N4O4/c1-21(8-14(23)20-15-10(17)3-2-4-11(15)18)16(24)9-5-6-12(19)13(7-9)22(25)26/h2-7H,8,19H2,1H3,(H,20,23)
InChIKeyVKUHUETVJPQAOW-UHFFFAOYSA-N
XLogP3.19
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide 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

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 7942128
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 40605982
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-3-nitrobenzamide
CID 24553223
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-3-nitrobenzamide
CID 63727577
2-(4-benzoyl-N-methyl-2-nitroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 26454015
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 40605983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide (CID 27807402) is 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
The InChIKey is VKUHUETVJPQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O4/c1-21(8-14(23)20-15-10(17)3-2-4-11(15)18)16(24)9-5-6-12(19)13(7-9)22(25)26/h2-7H,8,19H2,1H3,(H,20,23).
What are the key properties of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide?
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide has a molecular weight of 397.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 27807402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).