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

C13H19FN2O2 — CID 113478177

IUPACN-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
SMILESCCOC(C)CNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C13H19FN2O2/c1-4-18-9(2)8-16-13(17)10-6-5-7-11(14)12(10)15-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyCXEZUYAOEJABHH-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.02
Rot. Bonds6

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

N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 113478177) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID113478177
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
SMILESCCOC(C)CNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C13H19FN2O2/c1-4-18-9(2)8-16-13(17)10-6-5-7-11(14)12(10)15-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyCXEZUYAOEJABHH-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
2,3-difluoro-N-(2-prop-2-enoxypropyl)benzamide
CID 114264031
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 113304594
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide (CID 113478177) is N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide is CCOC(C)CNC(=O)c1cccc(F)c1NC.
What is the InChIKey of N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is CXEZUYAOEJABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-18-9(2)8-16-13(17)10-6-5-7-11(14)12(10)15-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide?
N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 254.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 113478177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).