N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide

C14H18FN3O2 — CID 60806860

IUPACN-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESNC(=O)CN(C(=O)Cc1ccccc1F)C1CCNC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-2-1-3-10(12)7-14(20)18(9-13(16)19)11-5-6-17-8-11/h1-4,11,17H,5-9H2,(H2,16,19)
InChIKeyOSWIRJBOUSFIGT-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.04
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide

N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 60806860) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
PubChem CID60806860
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESNC(=O)CN(C(=O)Cc1ccccc1F)C1CCNC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-2-1-3-10(12)7-14(20)18(9-13(16)19)11-5-6-17-8-11/h1-4,11,17H,5-9H2,(H2,16,19)
InChIKeyOSWIRJBOUSFIGT-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N-(2-amino-2-oxoethyl)-2,6-difluoro-N-piperidin-4-ylbenzamide
CID 60802278
N-(2-amino-2-oxoethyl)-2,5-difluoro-N-pyrrolidin-3-ylbenzamide
CID 60806689
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
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-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide (CID 60806860) is N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide is NC(=O)CN(C(=O)Cc1ccccc1F)C1CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is OSWIRJBOUSFIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-4-2-1-3-10(12)7-14(20)18(9-13(16)19)11-5-6-17-8-11/h1-4,11,17H,5-9H2,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide?
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 279.31 g/mol, XLogP of 0.04, 5 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-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 60806860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).