2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide

C11H14ClN3O4 — CID 26448563

IUPAC2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O4/c1-19-5-4-13-11(16)7-14-10-3-2-8(15(17)18)6-9(10)12/h2-3,6,14H,4-5,7H2,1H3,(H,13,16)
InChIKeyPETXFCMOQMGURS-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.42
Rot. Bonds7

About 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide

2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 26448563) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
PubChem CID26448563
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O4/c1-19-5-4-13-11(16)7-14-10-3-2-8(15(17)18)6-9(10)12/h2-3,6,14H,4-5,7H2,1H3,(H,13,16)
InChIKeyPETXFCMOQMGURS-UHFFFAOYSA-N
XLogP1.42
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(3-nitroanilino)acetamide
CID 113218646
2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 51092469
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
N-(2-methoxyethyl)-3-(2-methyl-4-nitroanilino)propanamide
CID 115671732
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
methyl 3-(2-chloro-4-nitroanilino)propanoate
CID 60632030
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
N-[2-[2-(tert-butylamino)ethoxy]ethyl]-2-(2,4-dinitroanilino)acetamide
CID 159150951
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide (CID 26448563) is 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is PETXFCMOQMGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-19-5-4-13-11(16)7-14-10-3-2-8(15(17)18)6-9(10)12/h2-3,6,14H,4-5,7H2,1H3,(H,13,16).
What are the key properties of 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide?
2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 287.70 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 26448563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).