2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide

C23H24FN3O2 — CID 139886427

IUPAC2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide
SMILESO=C(Cc1cc(CCNCC(O)c2ccccc2F)ccn1)Nc1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-21-9-5-4-8-20(21)22(28)16-25-12-10-17-11-13-26-19(14-17)15-23(29)27-18-6-2-1-3-7-18/h1-9,11,13-14,22,25,28H,10,12,15-16H2,(H,27,29)
InChIKeyNSFKEOSIJCWZOY-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.27
Rot. Bonds9

About 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide

2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide (PubChem CID 139886427) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide
PubChem CID139886427
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide
SMILESO=C(Cc1cc(CCNCC(O)c2ccccc2F)ccn1)Nc1ccccc1
InChIInChI=1S/C23H24FN3O2/c24-21-9-5-4-8-20(21)22(28)16-25-12-10-17-11-13-26-19(14-17)15-23(29)27-18-6-2-1-3-7-18/h1-9,11,13-14,22,25,28H,10,12,15-16H2,(H,27,29)
InChIKeyNSFKEOSIJCWZOY-UHFFFAOYSA-N
XLogP3.27
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
CID 139886411
N-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46193817
2-[1-[(2-fluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 139886389
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-1-[(3,4,5-trifluorophenyl)methyl]imidazol-2-yl]-N-phenylacetamide;dihydrochloride
CID 139886380
N-[4-[2-[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46193701
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123534088
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-[1-[(3,4,5-trifluorophenyl)methyl]imidazol-2-yl]acetamide;dihydrochloride
CID 18319850
2-[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 139886347
N-[4-[2-[[2-(3-acetamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide
CID 46193587
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
2-(2-formamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 118884026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide (CID 139886427) is 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide is O=C(Cc1cc(CCNCC(O)c2ccccc2F)ccn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide?
The InChIKey is NSFKEOSIJCWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-21-9-5-4-8-20(21)22(28)16-25-12-10-17-11-13-26-19(14-17)15-23(29)27-18-6-2-1-3-7-18/h1-9,11,13-14,22,25,28H,10,12,15-16H2,(H,27,29).
What are the key properties of 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide?
2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide has a molecular weight of 393.46 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide is sourced from PubChem (CID 139886427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).