N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide

C25H26FN3O — CID 18411873

IUPACN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cc1ccccc1-c1ccccn1)NC1CCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C25H26FN3O/c26-21-10-8-19(9-11-21)12-15-29-16-13-22(18-29)28-25(30)17-20-5-1-2-6-23(20)24-7-3-4-14-27-24/h1-11,14,22H,12-13,15-18H2,(H,28,30)
InChIKeyKRZFKNVZEGLWJA-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.86
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide

N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide (PubChem CID 18411873) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide
PubChem CID18411873
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide
SMILESO=C(Cc1ccccc1-c1ccccn1)NC1CCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C25H26FN3O/c26-21-10-8-19(9-11-21)12-15-29-16-13-22(18-29)28-25(30)17-20-5-1-2-6-23(20)24-7-3-4-14-27-24/h1-11,14,22H,12-13,15-18H2,(H,28,30)
InChIKeyKRZFKNVZEGLWJA-UHFFFAOYSA-N
XLogP3.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
CID 22888133
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 42519689
N-[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-2-(4-fluorophenyl)acetamide
CID 18414515
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-[1-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 70006888
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
CID 22038162

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide (CID 18411873) is N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide is O=C(Cc1ccccc1-c1ccccn1)NC1CCN(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide?
The InChIKey is KRZFKNVZEGLWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-21-10-8-19(9-11-21)12-15-29-16-13-22(18-29)28-25(30)17-20-5-1-2-6-23(20)24-7-3-4-14-27-24/h1-11,14,22H,12-13,15-18H2,(H,28,30).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide?
N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-2-(2-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 18411873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).