2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

C12H11FN2O2 — CID 18110116

IUPAC2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,16)(H,15,17)
InChIKeyGQAVGCQGQVIZHK-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.30
Rot. Bonds4

About 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (PubChem CID 18110116) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
PubChem CID18110116
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,16)(H,15,17)
InChIKeyGQAVGCQGQVIZHK-UHFFFAOYSA-N
XLogP0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
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2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 75494708
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (CID 18110116) is 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is C#CCNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The InChIKey is GQAVGCQGQVIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13/h1,3-6H,7-8H2,(H,14,16)(H,15,17).
What are the key properties of 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide has a molecular weight of 234.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is sourced from PubChem (CID 18110116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).