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

C19H12N2O4 — CID 923784

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccco1
InChIInChI=1S/C19H12N2O4/c22-17(16-6-3-11-25-16)20-12-7-9-13(10-8-12)21-18(23)14-4-1-2-5-15(14)19(21)24/h1-11H,(H,20,22)
InChIKeyJXAMONNGJXVSTB-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.33
Rot. Bonds3

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

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 923784) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
PubChem CID923784
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccco1
InChIInChI=1S/C19H12N2O4/c22-17(16-6-3-11-25-16)20-12-7-9-13(10-8-12)21-18(23)14-4-1-2-5-15(14)19(21)24/h1-11H,(H,20,22)
InChIKeyJXAMONNGJXVSTB-UHFFFAOYSA-N
XLogP3.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
N-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 46509472
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]furan-2-carboxamide
CID 19631521
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(9H-fluorene-9-carbonylamino)phenyl]furan-2-carboxamide
CID 4519967

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide (CID 923784) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccco1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is JXAMONNGJXVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-17(16-6-3-11-25-16)20-12-7-9-13(10-8-12)21-18(23)14-4-1-2-5-15(14)19(21)24/h1-11H,(H,20,22).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 923784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).