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

C20H13FN2O4 — CID 122196094

IUPACN-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)cc1
InChIInChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)
InChIKeyQDDMZQCENBRXHC-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.78
Rot. Bonds3

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

N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (PubChem CID 122196094) has the molecular formula C20H13FN2O4 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
PubChem CID122196094
Molecular FormulaC20H13FN2O4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC NameN-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)cc1
InChIInChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24)
InChIKeyQDDMZQCENBRXHC-UHFFFAOYSA-N
XLogP3.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.78
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-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-[6-(4-chloro-1,3-dioxoisoindol-2-yl)-3-pyridinyl]-3-methylfuran-2-carboxamide
CID 122196113
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127034515
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
CID 162648102
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
CID 122196120
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 122196127
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide (CID 122196094) is N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)cc1.
What is the InChIKey of N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is QDDMZQCENBRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4/c1-11-9-10-27-17(11)18(24)22-12-5-7-13(8-6-12)23-19(25)14-3-2-4-15(21)16(14)20(23)26/h2-10H,1H3,(H,22,24).
What are the key properties of N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide?
N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 122196094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).