2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide

C12H17FN2O2 — CID 113468555

IUPAC2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-2-15(6-3-7-16)12(17)10-5-4-9(13)8-11(10)14/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyVUOKNRGBSDXKOZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds5

About 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide

2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 113468555) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
PubChem CID113468555
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2/c1-2-15(6-3-7-16)12(17)10-5-4-9(13)8-11(10)14/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyVUOKNRGBSDXKOZ-UHFFFAOYSA-N
XLogP1.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide (CID 113468555) is 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide is CCN(CCCO)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is VUOKNRGBSDXKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-15(6-3-7-16)12(17)10-5-4-9(13)8-11(10)14/h4-5,8,16H,2-3,6-7,14H2,1H3.
What are the key properties of 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 113468555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).