2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C16H24FN3O — CID 106615025

IUPAC2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)CC1CCCN1
InChIInChI=1S/C16H24FN3O/c1-2-20(11-14-7-5-9-18-14)12-16(21)19-10-13-6-3-4-8-15(13)17/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3,(H,19,21)
InChIKeyNZNIYVKNYTXTJW-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.52
Rot. Bonds7

About 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 106615025) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID106615025
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccccc1F)CC1CCCN1
InChIInChI=1S/C16H24FN3O/c1-2-20(11-14-7-5-9-18-14)12-16(21)19-10-13-6-3-4-8-15(13)17/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3,(H,19,21)
InChIKeyNZNIYVKNYTXTJW-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
CID 106615127
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106615538
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 167898743
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
CID 106632733
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 106615025) is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccccc1F)CC1CCCN1.
What is the InChIKey of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is NZNIYVKNYTXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-20(11-14-7-5-9-18-14)12-16(21)19-10-13-6-3-4-8-15(13)17/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3,(H,19,21).
What are the key properties of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 106615025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).