N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide

C17H13F3N2O2 — CID 138975919

IUPACN-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
SMILESCCN(C=C1C=CN2C(=O)c3ccccc3C2=C1)C(=O)C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c1-2-21(16(24)17(18,19)20)10-11-7-8-22-14(9-11)12-5-3-4-6-13(12)15(22)23/h3-10H,2H2,1H3
InChIKeyPDKUBICUDGWQFP-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.31
Rot. Bonds2

About N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide (PubChem CID 138975919) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
PubChem CID138975919
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
SMILESCCN(C=C1C=CN2C(=O)c3ccccc3C2=C1)C(=O)C(F)(F)F
InChIInChI=1S/C17H13F3N2O2/c1-2-21(16(24)17(18,19)20)10-11-7-8-22-14(9-11)12-5-3-4-6-13(12)15(22)23/h3-10H,2H2,1H3
InChIKeyPDKUBICUDGWQFP-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylphthalimide
CID 11074
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
Phthalimidoacetone
CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
N-Propylphthalimide
CID 79215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide (CID 138975919) is N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide is CCN(C=C1C=CN2C(=O)c3ccccc3C2=C1)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide?
The InChIKey is PDKUBICUDGWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-21(16(24)17(18,19)20)10-11-7-8-22-14(9-11)12-5-3-4-6-13(12)15(22)23/h3-10H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide has a molecular weight of 334.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide is sourced from PubChem (CID 138975919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).