2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide

C16H18F3N3O3 — CID 59319345

IUPAC2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)15(24)22-8-11-1-2-13(7-12(11)9-22)20-14(23)10-21-3-5-25-6-4-21/h1-2,7H,3-6,8-10H2,(H,20,23)
InChIKeyYUQJBDPSAJKBOX-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.36
Rot. Bonds3

About 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide

2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide (PubChem CID 59319345) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide
PubChem CID59319345
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc2c(c1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)15(24)22-8-11-1-2-13(7-12(11)9-22)20-14(23)10-21-3-5-25-6-4-21/h1-2,7H,3-6,8-10H2,(H,20,23)
InChIKeyYUQJBDPSAJKBOX-UHFFFAOYSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-morpholin-4-yl-N-[4-[(2-propylsulfanylacetyl)amino]phenyl]acetamide
CID 55831217
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3-iodo-2,4-dihydroindeno[1,2-c]pyrazol-6-yl)-2-morpholin-4-ylacetamide
CID 69201485
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
CID 46844280

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide (CID 59319345) is 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide is O=C(CN1CCOCC1)Nc1ccc2c(c1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide?
The InChIKey is YUQJBDPSAJKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c17-16(18,19)15(24)22-8-11-1-2-13(7-12(11)9-22)20-14(23)10-21-3-5-25-6-4-21/h1-2,7H,3-6,8-10H2,(H,20,23).
What are the key properties of 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide?
2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide has a molecular weight of 357.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-(2,2,2-trifluoroacetyl)-1,3-dihydroisoindol-5-yl]acetamide is sourced from PubChem (CID 59319345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).