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

C20H14N2O4 — CID 168518948

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H14N2O4/c1-12-11-13(8-9-16(12)21-18(23)17-7-4-10-26-17)22-19(24)14-5-2-3-6-15(14)20(22)25/h2-11H,1H3,(H,21,23)
InChIKeySVJWFUUDMUJGOM-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.64
Rot. Bonds3

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

N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 168518948) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID168518948
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H14N2O4/c1-12-11-13(8-9-16(12)21-18(23)17-7-4-10-26-17)22-19(24)14-5-2-3-6-15(14)20(22)25/h2-11H,1H3,(H,21,23)
InChIKeySVJWFUUDMUJGOM-UHFFFAOYSA-N
XLogP3.64
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.64
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-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3519498
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 122196127
N-(4-bromo-2-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 1271171
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
N-(4-methyl-2-phenylphenyl)furan-2-carboxamide
CID 110443419
N-[4-[4-anilino-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]furan-2-carboxamide
CID 83277209

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 168518948) is N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is SVJWFUUDMUJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-12-11-13(8-9-16(12)21-18(23)17-7-4-10-26-17)22-19(24)14-5-2-3-6-15(14)20(22)25/h2-11H,1H3,(H,21,23).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 3.64, 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)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 168518948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).