N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

C19H13F3N2O4 — CID 1159351

IUPACN-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O4/c1-11(25)12-5-4-6-13(9-12)23(18(28)19(20,21)22)10-24-16(26)14-7-2-3-8-15(14)17(24)27/h2-9H,10H2,1H3
InChIKeyFAYCVSDIMOMSNK-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.04
Rot. Bonds4

About N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 1159351) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID1159351
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC NameN-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O4/c1-11(25)12-5-4-6-13(9-12)23(18(28)19(20,21)22)10-24-16(26)14-7-2-3-8-15(14)17(24)27/h2-9H,10H2,1H3
InChIKeyFAYCVSDIMOMSNK-UHFFFAOYSA-N
XLogP3.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 44722626
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
CID 1159356
N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 23938154
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
CID 4223086
N-[[(1R,2S,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-(3-methylphenyl)acetamide
CID 100808012
N-(3-chlorophenyl)-N-[[(1R,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 100807998
N-[[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 98106146
N-[[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124715812
N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
N-(3-acetylphenyl)-N-[(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)methyl]-2-methylbenzamide
CID 17258812

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 1159351) is N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide is CC(=O)c1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is FAYCVSDIMOMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-11(25)12-5-4-6-13(9-12)23(18(28)19(20,21)22)10-24-16(26)14-7-2-3-8-15(14)17(24)27/h2-9H,10H2,1H3.
What are the key properties of N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 390.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1159351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).