N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide

C15H17FN2O3 — CID 61450166

IUPACN-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H17FN2O3/c1-3-18(10-14(20)17-2)15(21)13-7-6-12(16)9-11(13)5-4-8-19/h6-7,9,19H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGLCWCGBVIIVHBM-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.38
Rot. Bonds4

About N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide

N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 61450166) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID61450166
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc(F)cc1C#CCO
InChIInChI=1S/C15H17FN2O3/c1-3-18(10-14(20)17-2)15(21)13-7-6-12(16)9-11(13)5-4-8-19/h6-7,9,19H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGLCWCGBVIIVHBM-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'}

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Related Compounds

N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzamide
CID 60821605
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484405
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107483927
N-ethyl-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79482908
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106917649
N-ethyl-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)benzamide
CID 61447353
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
5-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 61425692
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 61450166) is N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide is CCN(CC(=O)NC)C(=O)c1ccc(F)cc1C#CCO.
What is the InChIKey of N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is GLCWCGBVIIVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-18(10-14(20)17-2)15(21)13-7-6-12(16)9-11(13)5-4-8-19/h6-7,9,19H,3,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide?
N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]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 N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 61450166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).