2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide

C11H15FN2O3 — CID 168595257

IUPAC2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cccc(F)c1NCC(O)CO
InChIInChI=1S/C11H15FN2O3/c1-13-11(17)8-3-2-4-9(12)10(8)14-5-7(16)6-15/h2-4,7,14-16H,5-6H2,1H3,(H,13,17)
InChIKeyVMVLWPDYDOONGB-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.05
Rot. Bonds5

About 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide

2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide (PubChem CID 168595257) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
PubChem CID168595257
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cccc(F)c1NCC(O)CO
InChIInChI=1S/C11H15FN2O3/c1-13-11(17)8-3-2-4-9(12)10(8)14-5-7(16)6-15/h2-4,7,14-16H,5-6H2,1H3,(H,13,17)
InChIKeyVMVLWPDYDOONGB-UHFFFAOYSA-N
XLogP-0.05
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(2,6-difluorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66170795
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 62662634
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
3-fluoro-N-methyl-2-sulfanylbenzamide
CID 175999607
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol
CID 168595759

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide (CID 168595257) is 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide is CNC(=O)c1cccc(F)c1NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide?
The InChIKey is VMVLWPDYDOONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-13-11(17)8-3-2-4-9(12)10(8)14-5-7(16)6-15/h2-4,7,14-16H,5-6H2,1H3,(H,13,17).
What are the key properties of 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide?
2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide has a molecular weight of 242.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 168595257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).