5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide

C11H13FN2O3 — CID 79881248

IUPAC5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H13FN2O3/c1-13-10(16)4-5-14-11(17)8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyXNHXGZCVSGXGHN-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.40
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide

5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 79881248) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID79881248
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H13FN2O3/c1-13-10(16)4-5-14-11(17)8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyXNHXGZCVSGXGHN-UHFFFAOYSA-N
XLogP0.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
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CID 59140674
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
5-fluoro-2-hydroxy-N-(4-methoxybutyl)benzamide
CID 79523733
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 115298591
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115299614
5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 75494708

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 79881248) is 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is XNHXGZCVSGXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-13-10(16)4-5-14-11(17)8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 240.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 79881248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).