2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide

C14H19F2N3O — CID 115969204

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-9(17)10-2-3-19(7-10)8-14(20)18-13-5-11(15)4-12(16)6-13/h4-6,9-10H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyWNPASSKUORKYFS-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.57
Rot. Bonds4

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 115969204) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID115969204
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC(N)C1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-9(17)10-2-3-19(7-10)8-14(20)18-13-5-11(15)4-12(16)6-13/h4-6,9-10H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyWNPASSKUORKYFS-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 115969224
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853756
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 115969204) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide is CC(N)C1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is WNPASSKUORKYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(17)10-2-3-19(7-10)8-14(20)18-13-5-11(15)4-12(16)6-13/h4-6,9-10H,2-3,7-8,17H2,1H3,(H,18,20).
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 115969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).