N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide

C16H22FN3O — CID 119872696

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C16H22FN3O/c17-13-6-3-7-14(20-9-1-2-10-20)16(13)19-15(21)11-12-5-4-8-18-12/h3,6-7,12,18H,1-2,4-5,8-11H2,(H,19,21)
InChIKeyKTSKMLSVVJMYSV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.51
Rot. Bonds4

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119872696) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID119872696
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C16H22FN3O/c17-13-6-3-7-14(20-9-1-2-10-20)16(13)19-15(21)11-12-5-4-8-18-12/h3,6-7,12,18H,1-2,4-5,8-11H2,(H,19,21)
InChIKeyKTSKMLSVVJMYSV-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119828255
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119786123
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide (CID 119872696) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1c(F)cccc1N1CCCC1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is KTSKMLSVVJMYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-13-6-3-7-14(20-9-1-2-10-20)16(13)19-15(21)11-12-5-4-8-18-12/h3,6-7,12,18H,1-2,4-5,8-11H2,(H,19,21).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 291.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119872696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).