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

C12H11FN2O3 — CID 75494708

IUPAC5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H11FN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h1,3-4,6,16H,5,7H2,(H,14,17)(H,15,18)
InChIKeyMUHUALUKRHKUSW-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.01
Rot. Bonds4

About 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (PubChem CID 75494708) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
PubChem CID75494708
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
SMILESC#CCNC(=O)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H11FN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h1,3-4,6,16H,5,7H2,(H,14,17)(H,15,18)
InChIKeyMUHUALUKRHKUSW-UHFFFAOYSA-N
XLogP0.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
N-(2-bromoprop-2-enyl)-5-fluoro-2-hydroxybenzamide
CID 115681931
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide (CID 75494708) is 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is C#CCNC(=O)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
The InChIKey is MUHUALUKRHKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h1,3-4,6,16H,5,7H2,(H,14,17)(H,15,18).
What are the key properties of 5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide?
5-fluoro-2-hydroxy-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide has a molecular weight of 250.23 g/mol, XLogP of 0.01, 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-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide is sourced from PubChem (CID 75494708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).