N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide

C26H22FN3O — CID 66829347

IUPACN-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(F)ccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H22FN3O/c1-18(31)30-26-9-3-2-8-23(26)25-15-22(27)11-10-19(25)14-24(20-6-4-12-28-16-20)21-7-5-13-29-17-21/h2-13,15-17,24H,14H2,1H3,(H,30,31)
InChIKeyRNDWSEZDKVGCTB-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.62
Rot. Bonds6

About N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide

N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide (PubChem CID 66829347) has the molecular formula C26H22FN3O and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
PubChem CID66829347
Molecular FormulaC26H22FN3O
Molecular Weight411.48 g/mol
Exact Mass411.17
IUPAC NameN-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cc(F)ccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H22FN3O/c1-18(31)30-26-9-3-2-8-23(26)25-15-22(27)11-10-19(25)14-24(20-6-4-12-28-16-20)21-7-5-13-29-17-21/h2-13,15-17,24H,14H2,1H3,(H,30,31)
InChIKeyRNDWSEZDKVGCTB-UHFFFAOYSA-N
XLogP5.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
N-[6-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]-2-pyridinyl]methanesulfonamide
CID 66829565
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446
3-[1-(4-fluoro-2-pyridin-3-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 66829378
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-pyridin-3-ylethanamine
CID 114347672
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
CID 95159921
3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287318
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
3-[1-(4-fluoro-2-pyridin-4-ylphenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287333

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide (CID 66829347) is N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cc(F)ccc1CC(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide?
The InChIKey is RNDWSEZDKVGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O/c1-18(31)30-26-9-3-2-8-23(26)25-15-22(27)11-10-19(25)14-24(20-6-4-12-28-16-20)21-7-5-13-29-17-21/h2-13,15-17,24H,14H2,1H3,(H,30,31).
What are the key properties of N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide?
N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-dipyridin-3-ylethyl)-5-fluorophenyl]phenyl]acetamide is sourced from PubChem (CID 66829347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).