5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide

C13H18FN3O4 — CID 62176883

IUPAC5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O4/c1-4-15-11-7-9(12(17(19)20)8-10(11)14)13(18)16(2)5-6-21-3/h7-8,15H,4-6H2,1-3H3
InChIKeyUVJCFXIDWQFTOL-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.88
Rot. Bonds7

About 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide

5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide (PubChem CID 62176883) has the molecular formula C13H18FN3O4 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide
PubChem CID62176883
Molecular FormulaC13H18FN3O4
Molecular Weight299.30 g/mol
Exact Mass299.13
IUPAC Name5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H18FN3O4/c1-4-15-11-7-9(12(17(19)20)8-10(11)14)13(18)16(2)5-6-21-3/h7-8,15H,4-6H2,1-3H3
InChIKeyUVJCFXIDWQFTOL-UHFFFAOYSA-N
XLogP1.88
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
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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Related Compounds

4-fluoro-N-(3-methoxypropyl)-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 63009858
4,5-difluoro-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63008756
3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
CID 62680516
N-(2-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827
5-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63007889
N-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773
4-fluoro-N-hexyl-5-(hexylamino)-2-nitrobenzamide
CID 132819477
N-(2-amino-2-oxoethyl)-4-fluoro-2-nitro-5-(propylamino)benzamide
CID 62172559
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
CID 104925827
N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
CID 81062921
N-(2-cyanopropyl)-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62180327
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide (CID 62176883) is 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide is CCNc1cc(C(=O)N(C)CCOC)c([N+](=O)[O-])cc1F.
What is the InChIKey of 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide?
The InChIKey is UVJCFXIDWQFTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O4/c1-4-15-11-7-9(12(17(19)20)8-10(11)14)13(18)16(2)5-6-21-3/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide?
5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide has a molecular weight of 299.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-4-fluoro-N-(2-methoxyethyl)-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 62176883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).