(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

C17H16F4N2O2 — CID 100753315

IUPAC(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)cc1=O)c1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O2/c1-10(12-3-5-14(18)6-4-12)22-16(25)11(2)23-8-7-13(9-15(23)24)17(19,20)21/h3-11H,1-2H3,(H,22,25)/t10-,11-/m0/s1
InChIKeyCSBRVALJQQHNQE-QWRGUYRKSA-N
MW356.32 g/mol
LogP3.44
Rot. Bonds4

About (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 100753315) has the molecular formula C17H16F4N2O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID100753315
Molecular FormulaC17H16F4N2O2
Molecular Weight356.32 g/mol
Exact Mass356.11
IUPAC Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)cc1=O)c1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O2/c1-10(12-3-5-14(18)6-4-12)22-16(25)11(2)23-8-7-13(9-15(23)24)17(19,20)21/h3-11H,1-2H3,(H,22,25)/t10-,11-/m0/s1
InChIKeyCSBRVALJQQHNQE-QWRGUYRKSA-N
XLogP3.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
CID 87688968
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 135020508
2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81348111
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81347208
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide
CID 97088403

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (CID 100753315) is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is C[C@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)cc1=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is CSBRVALJQQHNQE-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H16F4N2O2/c1-10(12-3-5-14(18)6-4-12)22-16(25)11(2)23-8-7-13(9-15(23)24)17(19,20)21/h3-11H,1-2H3,(H,22,25)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 356.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 100753315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).