N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide

C14H19FN2O3 — CID 115883686

IUPACN-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FN2O3/c1-4-17(5-2)14(20)9(3)16-13(19)11-8-10(15)6-7-12(11)18/h6-9,18H,4-5H2,1-3H3,(H,16,19)
InChIKeyYKZLNAVJSSRSRE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.52
Rot. Bonds5

About N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide

N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115883686) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
PubChem CID115883686
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FN2O3/c1-4-17(5-2)14(20)9(3)16-13(19)11-8-10(15)6-7-12(11)18/h6-9,18H,4-5H2,1-3H3,(H,16,19)
InChIKeyYKZLNAVJSSRSRE-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylpentanoic acid
CID 113281512
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide (CID 115883686) is N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide is CCN(CC)C(=O)C(C)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is YKZLNAVJSSRSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-4-17(5-2)14(20)9(3)16-13(19)11-8-10(15)6-7-12(11)18/h6-9,18H,4-5H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide?
N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 282.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115883686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).