4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride

C10H10ClN3O6 — CID 132593762

IUPAC4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
SMILESCOCCNc1c([N+](=O)[O-])cc(C(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O6/c1-20-3-2-12-9-7(13(16)17)4-6(10(11)15)5-8(9)14(18)19/h4-5,12H,2-3H2,1H3
InChIKeyWEMUHXNMDQMPQA-UHFFFAOYSA-N
MW303.66 g/mol
LogP1.94
Rot. Bonds7

About 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride

4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride (PubChem CID 132593762) has the molecular formula C10H10ClN3O6 and a molecular weight of 303.66 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
PubChem CID132593762
Molecular FormulaC10H10ClN3O6
Molecular Weight303.66 g/mol
Exact Mass303.03
IUPAC Name4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
SMILESCOCCNc1c([N+](=O)[O-])cc(C(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O6/c1-20-3-2-12-9-7(13(16)17)4-6(10(11)15)5-8(9)14(18)19/h4-5,12H,2-3H2,1H3
InChIKeyWEMUHXNMDQMPQA-UHFFFAOYSA-N
XLogP1.94
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride 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

3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
CID 62170600
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
CID 104916965
4-(4-methoxyanilino)-3,5-dinitrobenzoyl chloride
CID 132593901
methyl 2-hydroxy-4-(2-methoxyethylamino)-5-nitrobenzoate
CID 67503490
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
4,8-dinitronaphthalene-2,6-dicarbonyl chloride
CID 10688710
4-chloro-3,5-dinitrobenzoyl chloride
CID 23451564
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride?
The IUPAC name of 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride (CID 132593762) is 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride.
What is the SMILES notation for 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride?
The canonical SMILES for 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride is COCCNc1c([N+](=O)[O-])cc(C(=O)Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride?
The InChIKey is WEMUHXNMDQMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O6/c1-20-3-2-12-9-7(13(16)17)4-6(10(11)15)5-8(9)14(18)19/h4-5,12H,2-3H2,1H3.
What are the key properties of 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride?
4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride has a molecular weight of 303.66 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride is sourced from PubChem (CID 132593762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).