N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide

C18H17F3N2O3 — CID 39041536

IUPACN-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11(22-12(2)24)13-5-7-14(8-6-13)16(25)10-23-9-3-4-15(17(23)26)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyUTJNEVWKHBRSDY-NSHDSACASA-N
MW366.34 g/mol
LogP2.95
Rot. Bonds5

About N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide (PubChem CID 39041536) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
PubChem CID39041536
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11(22-12(2)24)13-5-7-14(8-6-13)16(25)10-23-9-3-4-15(17(23)26)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,24)/t11-/m0/s1
InChIKeyUTJNEVWKHBRSDY-NSHDSACASA-N
XLogP2.95
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
CID 55693879
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55950499
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55543815
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide
CID 39074299
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 39040310
methyl 3-(4-fluorophenyl)-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 55995564
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111542957
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55588553

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide (CID 39041536) is N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1.
What is the InChIKey of N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide?
The InChIKey is UTJNEVWKHBRSDY-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(22-12(2)24)13-5-7-14(8-6-13)16(25)10-23-9-3-4-15(17(23)26)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 39041536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).