N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide

C13H16FN3O3 — CID 107014678

IUPACN-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1c(O)cccc1F)C1CCNC1
InChIInChI=1S/C13H16FN3O3/c14-9-2-1-3-10(18)12(9)13(20)17(7-11(15)19)8-4-5-16-6-8/h1-3,8,16,18H,4-7H2,(H2,15,19)
InChIKeyHXFHYWOTILDQPV-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.18
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 107014678) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
PubChem CID107014678
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC NameN-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1c(O)cccc1F)C1CCNC1
InChIInChI=1S/C13H16FN3O3/c14-9-2-1-3-10(18)12(9)13(20)17(7-11(15)19)8-4-5-16-6-8/h1-3,8,16,18H,4-7H2,(H2,15,19)
InChIKeyHXFHYWOTILDQPV-UHFFFAOYSA-N
XLogP-0.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-(2-amino-2-oxoethyl)-3-hydroxy-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 81445402
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60806691
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide (CID 107014678) is N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide is NC(=O)CN(C(=O)c1c(O)cccc1F)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is HXFHYWOTILDQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c14-9-2-1-3-10(18)12(9)13(20)17(7-11(15)19)8-4-5-16-6-8/h1-3,8,16,18H,4-7H2,(H2,15,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 281.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 107014678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).