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

C17H17ClN4O4 — CID 4967368

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN4O4/c1-21(10-16(23)19-13-7-3-2-6-12(13)18)11-17(24)20-14-8-4-5-9-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyFIGFDJWTIYHCRS-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.76
Rot. Bonds7

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

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 4967368) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide
PubChem CID4967368
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN4O4/c1-21(10-16(23)19-13-7-3-2-6-12(13)18)11-17(24)20-14-8-4-5-9-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyFIGFDJWTIYHCRS-UHFFFAOYSA-N
XLogP2.76
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide (CID 4967368) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide is CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is FIGFDJWTIYHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-21(10-16(23)19-13-7-3-2-6-12(13)18)11-17(24)20-14-8-4-5-9-15(14)22(25)26/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 376.80 g/mol, XLogP of 2.76, 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-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4967368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).