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

C25H18N2O4 — CID 122196120

IUPAC3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
InChIInChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28)
InChIKeyWEXKYZXMDCSALY-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.10
Rot. Bonds3

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

3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide (PubChem CID 122196120) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
PubChem CID122196120
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12
InChIInChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28)
InChIKeyWEXKYZXMDCSALY-UHFFFAOYSA-N
XLogP5.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.10
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-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
CID 45110261
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-methylfuran-2-carboxamide
CID 122196102
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122193177
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 122196127
N-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
CID 122196113
N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127032838
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-(2-benzylphenyl)-3-methylfuran-2-carboxamide
CID 51240617
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
CID 127030339

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide (CID 122196120) is 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c2ccccc12.
What is the InChIKey of 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide?
The InChIKey is WEXKYZXMDCSALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-14-6-5-9-18-21(14)25(30)27(24(18)29)20-11-10-19(16-7-3-4-8-17(16)20)26-23(28)22-15(2)12-13-31-22/h3-13H,1-2H3,(H,26,28).
What are the key properties of 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide?
3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide is sourced from PubChem (CID 122196120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).