2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide

C17H16Cl2N4O4 — CID 18078774

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N4O4/c1-22(10-17(25)21-14-5-3-2-4-12(14)18)9-16(24)20-11-6-7-13(19)15(8-11)23(26)27/h2-8H,9-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyUDGMZGCOHGRMDR-UHFFFAOYSA-N
MW411.25 g/mol
LogP3.41
Rot. Bonds7

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 18078774) has the molecular formula C17H16Cl2N4O4 and a molecular weight of 411.25 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID18078774
Molecular FormulaC17H16Cl2N4O4
Molecular Weight411.25 g/mol
Exact Mass410.05
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N4O4/c1-22(10-17(25)21-14-5-3-2-4-12(14)18)9-16(24)20-11-6-7-13(19)15(8-11)23(26)27/h2-8H,9-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyUDGMZGCOHGRMDR-UHFFFAOYSA-N
XLogP3.41
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
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-(4-chloro-3-nitrophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880656
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
2-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 8844622
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide (CID 18078774) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is UDGMZGCOHGRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4/c1-22(10-17(25)21-14-5-3-2-4-12(14)18)9-16(24)20-11-6-7-13(19)15(8-11)23(26)27/h2-8H,9-10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 411.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 18078774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).