N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide

C20H14N2O4 — CID 4265825

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C20H14N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)13-21(14-7-2-1-3-8-14)20(25)17-11-6-12-26-17/h1-12H,13H2
InChIKeyAUZJESHQIHDFHH-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.18
Rot. Bonds4

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide (PubChem CID 4265825) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
PubChem CID4265825
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C20H14N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)13-21(14-7-2-1-3-8-14)20(25)17-11-6-12-26-17/h1-12H,13H2
InChIKeyAUZJESHQIHDFHH-UHFFFAOYSA-N
XLogP3.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl]-N-phenylfuran-2-carboxamide
CID 7275781
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N-[[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 7279741
2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
CID 55551272
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 4219346
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate
CID 691329

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide (CID 4265825) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide is O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide?
The InChIKey is AUZJESHQIHDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)13-21(14-7-2-1-3-8-14)20(25)17-11-6-12-26-17/h1-12H,13H2.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 4265825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).