N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide

C21H16N2O5 — CID 122196127

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1occc1C
InChIInChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)
InChIKeyJBQBAJBKVPMONK-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide

N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide (PubChem CID 122196127) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
PubChem CID122196127
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
SMILESCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1occc1C
InChIInChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)
InChIKeyJBQBAJBKVPMONK-UHFFFAOYSA-N
XLogP3.65
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
CID 30804395
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
CID 122196120
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1189042
2-(3-methoxy-4-methylsulfanylphenyl)isoindole-1,3-dione
CID 168519200
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-methylfuran-2-carboxamide
CID 122196102

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide (CID 122196127) is N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide is COc1cc(N2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1occc1C.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide?
The InChIKey is JBQBAJBKVPMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 122196127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).