3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide

C11H14ClN3O4 — CID 62170600

IUPAC3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
SMILESCNc1c(Cl)cc(C(=O)NCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-13-10-8(12)5-7(6-9(10)15(17)18)11(16)14-3-4-19-2/h5-6,13H,3-4H2,1-2H3,(H,14,16)
InChIKeyAGPBBWOPIUCMJL-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.67
Rot. Bonds6

About 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide

3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide (PubChem CID 62170600) has the molecular formula C11H14ClN3O4 and a molecular weight of 287.70 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
PubChem CID62170600
Molecular FormulaC11H14ClN3O4
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
SMILESCNc1c(Cl)cc(C(=O)NCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O4/c1-13-10-8(12)5-7(6-9(10)15(17)18)11(16)14-3-4-19-2/h5-6,13H,3-4H2,1-2H3,(H,14,16)
InChIKeyAGPBBWOPIUCMJL-UHFFFAOYSA-N
XLogP1.67
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.67
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

3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197
3-chloro-N-[2-(dimethylamino)ethyl]-4-(methylamino)-5-nitrobenzamide
CID 62171325
3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
CID 62234304
3-chloro-4-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 62691881
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
3-chloro-4-(methylamino)-N-(2-methylbutan-2-yl)-5-nitrobenzamide
CID 62173035
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-4-(methylamino)-5-nitro-N,N-dipropylbenzamide
CID 62165643
3-chloro-4-(ethylamino)-5-nitro-N-pentylbenzamide
CID 62185228
4-(2-methoxyethylamino)-3,5-dinitrobenzoyl chloride
CID 132593762
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
4-chloro-N-[3-(2-methoxyethoxy)propyl]-3-nitrobenzamide
CID 60668587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide (CID 62170600) is 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide is CNc1c(Cl)cc(C(=O)NCCOC)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide?
The InChIKey is AGPBBWOPIUCMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4/c1-13-10-8(12)5-7(6-9(10)15(17)18)11(16)14-3-4-19-2/h5-6,13H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide?
3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide has a molecular weight of 287.70 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 62170600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).