N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide

C13H17FN2O3 — CID 115681928

IUPACN-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17FN2O3/c1-3-16(4-2)12(18)8-15-13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyKRSSMTOMTWZQGS-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.13
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide

N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115681928) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115681928
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17FN2O3/c1-3-16(4-2)12(18)8-15-13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19)
InChIKeyKRSSMTOMTWZQGS-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-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 115883686
N-(2-bromoprop-2-enyl)-5-fluoro-2-hydroxybenzamide
CID 115681931
5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 75494708
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
CID 105381540
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
5-fluoro-2-hydroxy-N-(8-oxononyl)benzamide
CID 59140674
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide (CID 115681928) is N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide is CCN(CC)C(=O)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is KRSSMTOMTWZQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-16(4-2)12(18)8-15-13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,3-4,8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide?
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-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]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115681928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).