2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide

C12H15Cl2N3O4 — CID 106891666

IUPAC2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H15Cl2N3O4/c1-7(12(18)15-3-4-21-2)16-11-9(13)5-8(17(19)20)6-10(11)14/h5-7,16H,3-4H2,1-2H3,(H,15,18)
InChIKeyZYDVDNAGSATTHL-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.46
Rot. Bonds7

About 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide

2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 106891666) has the molecular formula C12H15Cl2N3O4 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
PubChem CID106891666
Molecular FormulaC12H15Cl2N3O4
Molecular Weight336.18 g/mol
Exact Mass335.04
IUPAC Name2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H15Cl2N3O4/c1-7(12(18)15-3-4-21-2)16-11-9(13)5-8(17(19)20)6-10(11)14/h5-7,16H,3-4H2,1-2H3,(H,15,18)
InChIKeyZYDVDNAGSATTHL-UHFFFAOYSA-N
XLogP2.46
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.46
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

2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
CID 104916965
N-(2-methoxyethyl)-2-(2-methyl-4-nitroanilino)propanamide
CID 115573862
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
N-(2-methoxyethyl)-2-(4-methyl-3-nitroanilino)propanamide
CID 115573855
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
2,6-dichloro-N-(1-methoxypentan-2-yl)-4-nitroaniline
CID 106891579
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
3-(2,6-dichloro-4-nitroanilino)butanamide
CID 104917716
2-(2,6-difluoro-4-nitroanilino)-N-ethylpropanamide
CID 103828384
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
2-(2-chloro-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 26448563

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide (CID 106891666) is 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is ZYDVDNAGSATTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O4/c1-7(12(18)15-3-4-21-2)16-11-9(13)5-8(17(19)20)6-10(11)14/h5-7,16H,3-4H2,1-2H3,(H,15,18).
What are the key properties of 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide?
2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 336.18 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-nitroanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).