N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide

C16H22F3N3O2 — CID 109016632

IUPACN-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccccc1C(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-6-5-15(23)21-7-8-22-9-11-24-12-10-22/h1-4,20H,5-12H2,(H,21,23)
InChIKeyFHQCAHNKGRMZEY-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.96
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide

N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide (PubChem CID 109016632) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
PubChem CID109016632
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1ccccc1C(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-6-5-15(23)21-7-8-22-9-11-24-12-10-22/h1-4,20H,5-12H2,(H,21,23)
InChIKeyFHQCAHNKGRMZEY-UHFFFAOYSA-N
XLogP1.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide (CID 109016632) is N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide is O=C(CCNc1ccccc1C(F)(F)F)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The InChIKey is FHQCAHNKGRMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-6-5-15(23)21-7-8-22-9-11-24-12-10-22/h1-4,20H,5-12H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide?
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide has a molecular weight of 345.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109016632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).