N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide

C13H15F2N3O2 — CID 60806689

IUPACN-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNC1
InChIInChI=1S/C13H15F2N3O2/c14-8-1-2-11(15)10(5-8)13(20)18(7-12(16)19)9-3-4-17-6-9/h1-2,5,9,17H,3-4,6-7H2,(H2,16,19)
InChIKeyCZWRXOBDLZEBAF-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.25
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide

N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide (PubChem CID 60806689) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
PubChem CID60806689
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
SMILESNC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNC1
InChIInChI=1S/C13H15F2N3O2/c14-8-1-2-11(15)10(5-8)13(20)18(7-12(16)19)9-3-4-17-6-9/h1-2,5,9,17H,3-4,6-7H2,(H2,16,19)
InChIKeyCZWRXOBDLZEBAF-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-4-ylbenzamide
CID 60799815
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 60801397
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
5-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-fluorobenzamide
CID 61110216
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
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)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide (CID 60806689) is N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide is NC(=O)CN(C(=O)c1cc(F)ccc1F)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is CZWRXOBDLZEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-8-1-2-11(15)10(5-8)13(20)18(7-12(16)19)9-3-4-17-6-9/h1-2,5,9,17H,3-4,6-7H2,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide?
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 283.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60806689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).