N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide

C13H17FN2O2 — CID 110479175

IUPACN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-9-13(17)15-11-5-6-16(8-11)12-4-2-3-10(14)7-12/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyHUFQVNQFSWMALK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.17
Rot. Bonds4

About N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide

N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 110479175) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID110479175
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-9-13(17)15-11-5-6-16(8-11)12-4-2-3-10(14)7-12/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyHUFQVNQFSWMALK-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86962189
N-[1-(3-bromophenyl)piperidin-4-yl]-2-methoxyacetamide;2-methoxy-N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]acetamide
CID 161119255
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
CID 111437646

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide (CID 110479175) is N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is HUFQVNQFSWMALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-9-13(17)15-11-5-6-16(8-11)12-4-2-3-10(14)7-12/h2-4,7,11H,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide?
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 252.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 110479175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).