N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide

C25H15ClN2O4 — CID 122193169

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1occc1-c1ccccc1
InChIInChI=1S/C25H15ClN2O4/c26-20-14-16(27-23(29)22-17(12-13-32-22)15-6-2-1-3-7-15)10-11-21(20)28-24(30)18-8-4-5-9-19(18)25(28)31/h1-14H,(H,27,29)
InChIKeyGHPUZYKAMFPMRE-UHFFFAOYSA-N
MW442.86 g/mol
LogP5.65
Rot. Bonds4

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide (PubChem CID 122193169) has the molecular formula C25H15ClN2O4 and a molecular weight of 442.86 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide
PubChem CID122193169
Molecular FormulaC25H15ClN2O4
Molecular Weight442.86 g/mol
Exact Mass442.07
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1occc1-c1ccccc1
InChIInChI=1S/C25H15ClN2O4/c26-20-14-16(27-23(29)22-17(12-13-32-22)15-6-2-1-3-7-15)10-11-21(20)28-24(30)18-8-4-5-9-19(18)25(28)31/h1-14H,(H,27,29)
InChIKeyGHPUZYKAMFPMRE-UHFFFAOYSA-N
XLogP5.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.86
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]buta-2,3-dienamide
CID 176547430
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 122193167
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-ethylfuran-2-carboxamide
CID 122193161
N-[1-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55778376
N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide
CID 24676336
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylsulfonylpropanamide
CID 55778796
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-phenylpentanamide
CID 55725964
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-fluoro-4-methoxybenzamide
CID 78878772
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide (CID 122193169) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1occc1-c1ccccc1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide?
The InChIKey is GHPUZYKAMFPMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN2O4/c26-20-14-16(27-23(29)22-17(12-13-32-22)15-6-2-1-3-7-15)10-11-21(20)28-24(30)18-8-4-5-9-19(18)25(28)31/h1-14H,(H,27,29).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide has a molecular weight of 442.86 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 122193169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).