3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H14FN3O2 — CID 60861030

IUPAC3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6-8(12)3-7(4-9(6)13)11(17)15-5-10(16)14-2/h3-4H,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGPABUKOGICKVTK-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.19
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 60861030) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID60861030
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-6-8(12)3-7(4-9(6)13)11(17)15-5-10(16)14-2/h3-4H,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyGPABUKOGICKVTK-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 107150575
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63185530

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 60861030) is 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is GPABUKOGICKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6-8(12)3-7(4-9(6)13)11(17)15-5-10(16)14-2/h3-4H,5,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 239.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 60861030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).