4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide

C16H20F4N2O2 — CID 97218256

IUPAC4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCC(F)(F)F)c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C16H20F4N2O2/c1-11(21-15(23)4-5-16(18,19)20)13-10-12(17)2-3-14(13)22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyUPLFUESLGMLLIU-NSHDSACASA-N
MW348.34 g/mol
LogP3.18
Rot. Bonds5

About 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide

4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide (PubChem CID 97218256) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
PubChem CID97218256
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC Name4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide
SMILESC[C@H](NC(=O)CCC(F)(F)F)c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C16H20F4N2O2/c1-11(21-15(23)4-5-16(18,19)20)13-10-12(17)2-3-14(13)22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,21,23)/t11-/m0/s1
InChIKeyUPLFUESLGMLLIU-NSHDSACASA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide with MolForge

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Related Compounds

3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
CID 86778801
N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97221800
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
CID 95302428
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
CID 119902822
N'-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86875840
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 86877247

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide (CID 97218256) is 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide is C[C@H](NC(=O)CCC(F)(F)F)c1cc(F)ccc1N1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide?
The InChIKey is UPLFUESLGMLLIU-NSHDSACASA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-11(21-15(23)4-5-16(18,19)20)13-10-12(17)2-3-14(13)22-6-8-24-9-7-22/h2-3,10-11H,4-9H2,1H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide?
4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide has a molecular weight of 348.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 97218256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).