N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C15H18FN3O — CID 61365245

IUPACN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)CC1CCCN1
InChIInChI=1S/C15H18FN3O/c1-19(15(20)8-13-3-2-6-18-13)10-12-7-11(9-17)4-5-14(12)16/h4-5,7,13,18H,2-3,6,8,10H2,1H3
InChIKeyPIISAIJDAWNVJV-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.80
Rot. Bonds4

About N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61365245) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID61365245
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)CC1CCCN1
InChIInChI=1S/C15H18FN3O/c1-19(15(20)8-13-3-2-6-18-13)10-12-7-11(9-17)4-5-14(12)16/h4-5,7,13,18H,2-3,6,8,10H2,1H3
InChIKeyPIISAIJDAWNVJV-UHFFFAOYSA-N
XLogP1.80
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655891
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60945397
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119696306
4-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302758
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 61365245) is N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is CN(Cc1cc(C#N)ccc1F)C(=O)CC1CCCN1.
What is the InChIKey of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is PIISAIJDAWNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19(15(20)8-13-3-2-6-18-13)10-12-7-11(9-17)4-5-14(12)16/h4-5,7,13,18H,2-3,6,8,10H2,1H3.
What are the key properties of N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 275.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).