N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide

C21H15FN2O4 — CID 162648102

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2C)c(F)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H15FN2O4/c1-11-7-8-28-18(11)19(25)23-16-9-12(2)17(10-15(16)22)24-20(26)13-5-3-4-6-14(13)21(24)27/h3-10H,1-2H3,(H,23,25)
InChIKeyWMBNMWWQJFWLEY-UHFFFAOYSA-N
MW378.36 g/mol
LogP4.09
Rot. Bonds3

About N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide

N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide (PubChem CID 162648102) has the molecular formula C21H15FN2O4 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
PubChem CID162648102
Molecular FormulaC21H15FN2O4
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2C)c(F)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H15FN2O4/c1-11-7-8-28-18(11)19(25)23-16-9-12(2)17(10-15(16)22)24-20(26)13-5-3-4-6-14(13)21(24)27/h3-10H,1-2H3,(H,23,25)
InChIKeyWMBNMWWQJFWLEY-UHFFFAOYSA-N
XLogP4.09
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 54.09
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
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-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 122196094
N-[2,3-dichloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127032838
N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
N-[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-2,3,6-trifluorophenyl]-3-methylfuran-2-carboxamide
CID 162659650
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide
CID 122193169
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
N-[4-(4-chloro-3-oxo-1H-isoindol-2-yl)-2-fluorophenyl]-3-methylfuran-2-carboxamide
CID 127030339
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide (CID 162648102) is N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide is Cc1cc(NC(=O)c2occc2C)c(F)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide?
The InChIKey is WMBNMWWQJFWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4/c1-11-7-8-28-18(11)19(25)23-16-9-12(2)17(10-15(16)22)24-20(26)13-5-3-4-6-14(13)21(24)27/h3-10H,1-2H3,(H,23,25).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 4.09, 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-fluoro-5-methylphenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 162648102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).