5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide

C12H14FNO3 — CID 115298768

IUPAC5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO3/c1-3-10(15)7(2)14-12(17)9-6-8(13)4-5-11(9)16/h4-7,16H,3H2,1-2H3,(H,14,17)
InChIKeyMDZQZJNDQKHPFK-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.63
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide

5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide (PubChem CID 115298768) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
PubChem CID115298768
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO3/c1-3-10(15)7(2)14-12(17)9-6-8(13)4-5-11(9)16/h4-7,16H,3H2,1-2H3,(H,14,17)
InChIKeyMDZQZJNDQKHPFK-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 115883686
(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-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide (CID 115298768) is 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide is CCC(=O)C(C)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide?
The InChIKey is MDZQZJNDQKHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-3-10(15)7(2)14-12(17)9-6-8(13)4-5-11(9)16/h4-7,16H,3H2,1-2H3,(H,14,17).
What are the key properties of 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide?
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 115298768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).