N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide

C13H17FN2O3 — CID 104917096

IUPACN-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O3/c1-3-16(4-2)11(18)8-15-13(19)12-9(14)6-5-7-10(12)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyVWRJMWWSYLSWAP-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.13
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide

N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104917096) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104917096
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O3/c1-3-16(4-2)11(18)8-15-13(19)12-9(14)6-5-7-10(12)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyVWRJMWWSYLSWAP-UHFFFAOYSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide (CID 104917096) is N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide is CCN(CC)C(=O)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is VWRJMWWSYLSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-16(4-2)11(18)8-15-13(19)12-9(14)6-5-7-10(12)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide?
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 268.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).