N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide

C12H17FN2O2 — CID 62650175

IUPACN-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCCOCCNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C12H17FN2O2/c1-3-17-8-7-15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyUAFOHSDJXXJDEA-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.63
Rot. Bonds6

About N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide

N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62650175) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62650175
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCCOCCNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C12H17FN2O2/c1-3-17-8-7-15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyUAFOHSDJXXJDEA-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.63
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-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
CID 113478177
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
CID 55100061
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide (CID 62650175) is N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide is CCOCCNC(=O)c1cccc(F)c1NC.
What is the InChIKey of N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is UAFOHSDJXXJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-17-8-7-15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide?
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62650175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).