N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide

C16H23FN2O3 — CID 119785383

IUPACN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1cc(F)c(C(C)NC(=O)CC2CCCN2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-10(19-16(20)7-11-5-4-6-18-11)12-8-14(21-2)15(22-3)9-13(12)17/h8-11,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyMOGIKXUWVFODIK-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.16
Rot. Bonds6

About N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119785383) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119785383
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1cc(F)c(C(C)NC(=O)CC2CCCN2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-10(19-16(20)7-11-5-4-6-18-11)12-8-14(21-2)15(22-3)9-13(12)17/h8-11,18H,4-7H2,1-3H3,(H,19,20)
InChIKeyMOGIKXUWVFODIK-UHFFFAOYSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61372761
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 170764199
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119785383) is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is COc1cc(F)c(C(C)NC(=O)CC2CCCN2)cc1OC.
What is the InChIKey of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is MOGIKXUWVFODIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10(19-16(20)7-11-5-4-6-18-11)12-8-14(21-2)15(22-3)9-13(12)17/h8-11,18H,4-7H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 310.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119785383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).