(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide

C25H27FN2O — CID 92767812

IUPAC(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H27FN2O/c1-3-5-8-18(4-2)25(29)27-22-10-6-9-20(17-22)24-12-7-11-23(28-24)19-13-15-21(26)16-14-19/h6-7,9-18H,3-5,8H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyAQCXBUJJSHSOQT-GOSISDBHSA-N
MW390.50 g/mol
LogP6.71
Rot. Bonds8

About (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide

(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide (PubChem CID 92767812) has the molecular formula C25H27FN2O and a molecular weight of 390.50 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
PubChem CID92767812
Molecular FormulaC25H27FN2O
Molecular Weight390.50 g/mol
Exact Mass390.21
IUPAC Name(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
SMILESCCCC[C@@H](CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C25H27FN2O/c1-3-5-8-18(4-2)25(29)27-22-10-6-9-20(17-22)24-12-7-11-23(28-24)19-13-15-21(26)16-14-19/h6-7,9-18H,3-5,8H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyAQCXBUJJSHSOQT-GOSISDBHSA-N
XLogP6.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
CID 68896503
(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
2-ethyl-N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]hexanamide
CID 42694164
2,2-dichloro-N-[3-[6-(2,4-difluorophenyl)-2-pyridinyl]phenyl]acetamide
CID 46089627
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide?
The IUPAC name of (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide (CID 92767812) is (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide is CCCC[C@@H](CC)C(=O)Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide?
The InChIKey is AQCXBUJJSHSOQT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27FN2O/c1-3-5-8-18(4-2)25(29)27-22-10-6-9-20(17-22)24-12-7-11-23(28-24)19-13-15-21(26)16-14-19/h6-7,9-18H,3-5,8H2,1-2H3,(H,27,29)/t18-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide?
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide has a molecular weight of 390.50 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide is sourced from PubChem (CID 92767812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).