3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide

C14H19FN2O3 — CID 79380984

IUPAC3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
SMILESCN(CC(C)(C)O)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,20)9-17(3)12(18)8-16-13(19)10-5-4-6-11(15)7-10/h4-7,20H,8-9H2,1-3H3,(H,16,19)
InChIKeyLVLYBAMWBYDPOM-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.78
Rot. Bonds5

About 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide (PubChem CID 79380984) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
PubChem CID79380984
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
SMILESCN(CC(C)(C)O)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-14(2,20)9-17(3)12(18)8-16-13(19)10-5-4-6-11(15)7-10/h4-7,20H,8-9H2,1-3H3,(H,16,19)
InChIKeyLVLYBAMWBYDPOM-UHFFFAOYSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide (CID 79380984) is 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide is CN(CC(C)(C)O)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide?
The InChIKey is LVLYBAMWBYDPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,20)9-17(3)12(18)8-16-13(19)10-5-4-6-11(15)7-10/h4-7,20H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide has a molecular weight of 282.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 79380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).