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

C20H14N2O4 — CID 168516704

IUPACN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O4/c1-12-15(21-18(23)17-10-5-11-26-17)8-4-9-16(12)22-19(24)13-6-2-3-7-14(13)20(22)25/h2-11H,1H3,(H,21,23)
InChIKeyFGTUFHNEMHYBFQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.64
Rot. Bonds3

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

N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 168516704) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID168516704
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H14N2O4/c1-12-15(21-18(23)17-10-5-11-26-17)8-4-9-16(12)22-19(24)13-6-2-3-7-14(13)20(22)25/h2-11H,1H3,(H,21,23)
InChIKeyFGTUFHNEMHYBFQ-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)-2-methylphenyl]furan-2-carboxamide
CID 168518948
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
CID 168516325
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 169332635
N-(3-azido-2-methylphenyl)furan-2-carboxamide
CID 169324992
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[1-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55778376
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 168516704) is N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1c(NC(=O)c2ccco2)cccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is FGTUFHNEMHYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-12-15(21-18(23)17-10-5-11-26-17)8-4-9-16(12)22-19(24)13-6-2-3-7-14(13)20(22)25/h2-11H,1H3,(H,21,23).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide?
N-[3-(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-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 168516704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).