(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide

C23H23FN2O2 — CID 166571897

IUPAC(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide
SMILESCCOc1ccc(-c2cccnc2[C@H](CC(N)=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O2/c1-2-28-20-10-8-17(9-11-20)21-7-4-12-26-23(21)18(15-22(25)27)13-16-5-3-6-19(24)14-16/h3-12,14,18H,2,13,15H2,1H3,(H2,25,27)/t18-/m0/s1
InChIKeyBACCKGMFLSDCDB-SFHVURJKSA-N
MW378.45 g/mol
LogP4.49
Rot. Bonds8

About (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide

(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide (PubChem CID 166571897) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide
PubChem CID166571897
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide
SMILESCCOc1ccc(-c2cccnc2[C@H](CC(N)=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H23FN2O2/c1-2-28-20-10-8-17(9-11-20)21-7-4-12-26-23(21)18(15-22(25)27)13-16-5-3-6-19(24)14-16/h3-12,14,18H,2,13,15H2,1H3,(H2,25,27)/t18-/m0/s1
InChIKeyBACCKGMFLSDCDB-SFHVURJKSA-N
XLogP4.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950643
5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride
CID 71185261
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
tert-butyl (3R)-3-[3-(4-chlorophenyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate
CID 158805263
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one
CID 157220268
2-(4-ethoxy-2-methylphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83974319
2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 66718908
1-[(1R)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950814
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide?
The IUPAC name of (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide (CID 166571897) is (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide.
What is the SMILES notation for (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide?
The canonical SMILES for (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide is CCOc1ccc(-c2cccnc2[C@H](CC(N)=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide?
The InChIKey is BACCKGMFLSDCDB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-2-28-20-10-8-17(9-11-20)21-7-4-12-26-23(21)18(15-22(25)27)13-16-5-3-6-19(24)14-16/h3-12,14,18H,2,13,15H2,1H3,(H2,25,27)/t18-/m0/s1.
What are the key properties of (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide?
(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide has a molecular weight of 378.45 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide is sourced from PubChem (CID 166571897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).