N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide

C23H23FN2O — CID 110296433

IUPACN-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)23(27)22(15-19-9-6-14-25-16-19)20-10-12-21(24)13-11-20/h3-14,16,22H,2,15,17H2,1H3
InChIKeyCXXMAPISYSZOSK-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.60
Rot. Bonds7

About N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide

N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide (PubChem CID 110296433) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
PubChem CID110296433
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)23(27)22(15-19-9-6-14-25-16-19)20-10-12-21(24)13-11-20/h3-14,16,22H,2,15,17H2,1H3
InChIKeyCXXMAPISYSZOSK-UHFFFAOYSA-N
XLogP4.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
CID 82020986
N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296516
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide (CID 110296433) is N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide is CCN(Cc1ccccc1)C(=O)C(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is CXXMAPISYSZOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-2-26(17-18-7-4-3-5-8-18)23(27)22(15-19-9-6-14-25-16-19)20-10-12-21(24)13-11-20/h3-14,16,22H,2,15,17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110296433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).