2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide

C14H20FN3O2 — CID 63110325

IUPAC2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyRXXYJGAHISEKCL-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide

2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide (PubChem CID 63110325) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
PubChem CID63110325
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9,16H2,1-3H3
InChIKeyRXXYJGAHISEKCL-UHFFFAOYSA-N
XLogP1.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 63110335
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide (CID 63110325) is 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is RXXYJGAHISEKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-4-18(5-2)13(19)9-17(3)14(20)11-7-6-10(15)8-12(11)16/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 281.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 63110325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).