N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C22H14F3N3O5 — CID 55782313

IUPACN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc2C1=O
InChIInChI=1S/C22H14F3N3O5/c1-28-20(31)14-4-2-11(8-15(14)21(28)32)18(29)27-17-5-3-13(9-16(17)22(23,24)25)26-19(30)12-6-7-33-10-12/h2-10H,1H3,(H,26,30)(H,27,29)
InChIKeyYWQGYRIGBXPPAM-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.03
Rot. Bonds4

About N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55782313) has the molecular formula C22H14F3N3O5 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55782313
Molecular FormulaC22H14F3N3O5
Molecular Weight457.36 g/mol
Exact Mass457.09
IUPAC NameN-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc2C1=O
InChIInChI=1S/C22H14F3N3O5/c1-28-20(31)14-4-2-11(8-15(14)21(28)32)18(29)27-17-5-3-13(9-16(17)22(23,24)25)26-19(30)12-6-7-33-10-12/h2-10H,1H3,(H,26,30)(H,27,29)
InChIKeyYWQGYRIGBXPPAM-UHFFFAOYSA-N
XLogP4.03
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78886996
N-[4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782409
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
5-(tert-butylsulfamoyl)-N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55782285
N-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782284
N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 55782313) is N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4ccoc4)cc3C(F)(F)F)cc2C1=O.
What is the InChIKey of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is YWQGYRIGBXPPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O5/c1-28-20(31)14-4-2-11(8-15(14)21(28)32)18(29)27-17-5-3-13(9-16(17)22(23,24)25)26-19(30)12-6-7-33-10-12/h2-10H,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55782313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).