N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H16F3N3O4 — CID 55500795

IUPACN-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O4/c1-13-15-5-2-3-6-16(15)22(32)29(13)12-20(30)28-18-9-8-14(11-17(18)23(24,25)26)27-21(31)19-7-4-10-33-19/h2-11H,1,12H2,(H,27,31)(H,28,30)
InChIKeyWQOPJBFXYZSHFK-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.62
Rot. Bonds5

About N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55500795) has the molecular formula C23H16F3N3O4 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55500795
Molecular FormulaC23H16F3N3O4
Molecular Weight455.39 g/mol
Exact Mass455.11
IUPAC NameN-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H16F3N3O4/c1-13-15-5-2-3-6-16(15)22(32)29(13)12-20(30)28-18-9-8-14(11-17(18)23(24,25)26)27-21(31)19-7-4-10-33-19/h2-11H,1,12H2,(H,27,31)(H,28,30)
InChIKeyWQOPJBFXYZSHFK-UHFFFAOYSA-N
XLogP4.62
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062392
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062355
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038209
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55687145
N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698448
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501351
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55500795) is N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is WQOPJBFXYZSHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4/c1-13-15-5-2-3-6-16(15)22(32)29(13)12-20(30)28-18-9-8-14(11-17(18)23(24,25)26)27-21(31)19-7-4-10-33-19/h2-11H,1,12H2,(H,27,31)(H,28,30).
What are the key properties of N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55500795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).