N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

C13H13FN2O3 — CID 60816589

IUPACN-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)CNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C13H13FN2O3/c14-10-5-4-9(3-1-2-6-17)11(7-10)13(19)16-8-12(15)18/h4-5,7,17H,2,6,8H2,(H2,15,18)(H,16,19)
InChIKeyNTEOEBMFOLLRQH-UHFFFAOYSA-N
MW264.26 g/mol
LogP-0.23
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60816589) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60816589
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESNC(=O)CNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C13H13FN2O3/c14-10-5-4-9(3-1-2-6-17)11(7-10)13(19)16-8-12(15)18/h4-5,7,17H,2,6,8H2,(H2,15,18)(H,16,19)
InChIKeyNTEOEBMFOLLRQH-UHFFFAOYSA-N
XLogP-0.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.23
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

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60821326
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
ethyl 2-[[5-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetate
CID 60820951
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
N-(2-amino-2-oxoethyl)-3-(4-hydroxybut-1-ynyl)-4-methylbenzamide
CID 81476925
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide
CID 65310935
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (CID 60816589) is N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is NC(=O)CNC(=O)c1cc(F)ccc1C#CCCO.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is NTEOEBMFOLLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-10-5-4-9(3-1-2-6-17)11(7-10)13(19)16-8-12(15)18/h4-5,7,17H,2,6,8H2,(H2,15,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 264.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60816589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).