5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

C15H17FN2O3 — CID 106917649

IUPAC5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(F)ccc1C#CCO
InChIInChI=1S/C15H17FN2O3/c1-17-14(20)7-8-18(2)15(21)13-10-12(16)6-5-11(13)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,17,20)
InChIKeyWGOULVMMYIEQTK-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.38
Rot. Bonds4

About 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide

5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106917649) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106917649
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1cc(F)ccc1C#CCO
InChIInChI=1S/C15H17FN2O3/c1-17-14(20)7-8-18(2)15(21)13-10-12(16)6-5-11(13)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,17,20)
InChIKeyWGOULVMMYIEQTK-UHFFFAOYSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 63699841
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 106917655
5-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 61425692
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428101
5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115986882
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 61466173
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978382
N-ethyl-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzamide
CID 61447353
N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61450166
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60821326
N-[3-(dimethylamino)propyl]-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111247

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106917649) is 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1cc(F)ccc1C#CCO.
What is the InChIKey of 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is WGOULVMMYIEQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-17-14(20)7-8-18(2)15(21)13-10-12(16)6-5-11(13)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide?
5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 292.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106917649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).