N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide

C18H13F3N2O4 — CID 1048581

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4/c1-27-12-8-6-11(7-9-12)22(17(26)18(19,20)21)10-23-15(24)13-4-2-3-5-14(13)16(23)25/h2-9H,10H2,1H3
InChIKeyXQTPUFRFNPYKBQ-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.84
Rot. Bonds4

About N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide (PubChem CID 1048581) has the molecular formula C18H13F3N2O4 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
PubChem CID1048581
Molecular FormulaC18H13F3N2O4
Molecular Weight378.31 g/mol
Exact Mass378.08
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O4/c1-27-12-8-6-11(7-9-12)22(17(26)18(19,20)21)10-23-15(24)13-4-2-3-5-14(13)16(23)25/h2-9H,10H2,1H3
InChIKeyXQTPUFRFNPYKBQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.84
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-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
CID 1159356
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159351
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 55385096
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
N-[(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)methyl]-N-(4-methoxyphenyl)acetamide
CID 3098052
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 2326703
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
N-[[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-N-(4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 98280259
4-(1,3-dioxoisoindol-2-yl)-2-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 56948937

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide (CID 1048581) is N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide is COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide?
The InChIKey is XQTPUFRFNPYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4/c1-27-12-8-6-11(7-9-12)22(17(26)18(19,20)21)10-23-15(24)13-4-2-3-5-14(13)16(23)25/h2-9H,10H2,1H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide has a molecular weight of 378.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).