N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H20F3N3O5 — CID 26062392

IUPACN-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(NC(=O)c3ccco3)cc1C(F)(F)F)C2=O
InChIInChI=1S/C25H20F3N3O5/c1-14-6-8-16-17(12-14)24(35)31(23(16)34)10-2-5-21(32)30-19-9-7-15(13-18(19)25(26,27)28)29-22(33)20-4-3-11-36-20/h3-4,6-9,11-13H,2,5,10H2,1H3,(H,29,33)(H,30,32)
InChIKeyVHCVNBWJNDCIBF-UHFFFAOYSA-N
MW499.45 g/mol
LogP4.87
Rot. Bonds7

About N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 26062392) has the molecular formula C25H20F3N3O5 and a molecular weight of 499.45 g/mol. Its IUPAC name is N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID26062392
Molecular FormulaC25H20F3N3O5
Molecular Weight499.45 g/mol
Exact Mass499.14
IUPAC NameN-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(NC(=O)c3ccco3)cc1C(F)(F)F)C2=O
InChIInChI=1S/C25H20F3N3O5/c1-14-6-8-16-17(12-14)24(35)31(23(16)34)10-2-5-21(32)30-19-9-7-15(13-18(19)25(26,27)28)29-22(33)20-4-3-11-36-20/h3-4,6-9,11-13H,2,5,10H2,1H3,(H,29,33)(H,30,32)
InChIKeyVHCVNBWJNDCIBF-UHFFFAOYSA-N
XLogP4.87
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 54.87
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-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500795
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]butanamide
CID 55610959
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038209
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501351
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 26062392) is N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(NC(=O)c3ccco3)cc1C(F)(F)F)C2=O.
What is the InChIKey of N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is VHCVNBWJNDCIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O5/c1-14-6-8-16-17(12-14)24(35)31(23(16)34)10-2-5-21(32)30-19-9-7-15(13-18(19)25(26,27)28)29-22(33)20-4-3-11-36-20/h3-4,6-9,11-13H,2,5,10H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 499.45 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 26062392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).