N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide

C15H23FN2O2 — CID 62660550

IUPACN-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCCCOCCNC(=O)c1cccc(F)c1NCC
InChIInChI=1S/C15H23FN2O2/c1-3-5-10-20-11-9-18-15(19)12-7-6-8-13(16)14(12)17-4-2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyZOXOABPLPNPEMN-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.80
Rot. Bonds9

About N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide

N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62660550) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62660550
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCCCOCCNC(=O)c1cccc(F)c1NCC
InChIInChI=1S/C15H23FN2O2/c1-3-5-10-20-11-9-18-15(19)12-7-6-8-13(16)14(12)17-4-2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyZOXOABPLPNPEMN-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide (CID 62660550) is N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide is CCCCOCCNC(=O)c1cccc(F)c1NCC.
What is the InChIKey of N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is ZOXOABPLPNPEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-5-10-20-11-9-18-15(19)12-7-6-8-13(16)14(12)17-4-2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide?
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 282.36 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62660550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).