N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide

C15H21FN2O3 — CID 119756535

IUPACN-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCOCCOc1ccc(F)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H21FN2O3/c1-20-7-8-21-14-5-4-11(16)9-13(14)18-15(19)10-12-3-2-6-17-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyPCOFKXNHIWZDFK-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.93
Rot. Bonds7

About N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide

N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119756535) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119756535
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCOCCOc1ccc(F)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C15H21FN2O3/c1-20-7-8-21-14-5-4-11(16)9-13(14)18-15(19)10-12-3-2-6-17-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyPCOFKXNHIWZDFK-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119702559
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-(4-fluoro-2-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 61366590
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
N-[2-(2-methoxyethyl)phenyl]-2-piperidin-2-ylacetamide
CID 102906396
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119812519

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119756535) is N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide is COCCOc1ccc(F)cc1NC(=O)CC1CCCN1.
What is the InChIKey of N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is PCOFKXNHIWZDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-20-7-8-21-14-5-4-11(16)9-13(14)18-15(19)10-12-3-2-6-17-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 296.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119756535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).