N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide

C14H19FN2O2 — CID 141137869

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide
SMILESCON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O2/c1-11(18)17(19-2)14-7-8-16(10-14)9-12-3-5-13(15)6-4-12/h3-6,14H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyXRFTTYJYWOTPKQ-AWEZNQCLSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds4

About N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide

N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide (PubChem CID 141137869) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide
PubChem CID141137869
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide
SMILESCON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O2/c1-11(18)17(19-2)14-7-8-16(10-14)9-12-3-5-13(15)6-4-12/h3-6,14H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyXRFTTYJYWOTPKQ-AWEZNQCLSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 20895670
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544
N-benzyl-N-methyl-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 766514
(S)-N-(2,4-difluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 44578113
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24790641
N-[1-(2-fluorobenzyl)-3-piperidinyl]-3-(2-isoxazolidinyl)-N-methylpropanamide
CID 24817570
4-Amino-2-[(4-fluorophenyl)methyl]isoxazolidin-3-one
CID 504020
1-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 783394
1-[2-(3-Fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 20895669
1-[2-(4-Fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 50747032

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide (CID 141137869) is N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide is CON(C(C)=O)[C@H]1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide?
The InChIKey is XRFTTYJYWOTPKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11(18)17(19-2)14-7-8-16(10-14)9-12-3-5-13(15)6-4-12/h3-6,14H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide?
N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methoxyacetamide is sourced from PubChem (CID 141137869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).