N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide

C19H12N2O4 — CID 565828

IUPACN-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccco1
InChIInChI=1S/C19H12N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22)
InChIKeyXXYVMBQWFBBMHX-UHFFFAOYSA-N
MW332.32 g/mol
LogP3.33
Rot. Bonds3

About N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide

N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide (PubChem CID 565828) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide
PubChem CID565828
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccco1
InChIInChI=1S/C19H12N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22)
InChIKeyXXYVMBQWFBBMHX-UHFFFAOYSA-N
XLogP3.33
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 53.33
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-methylphenyl)furan-2-carboxamide
CID 785196
Mls003171585
CID 347463
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
3-Methyl-furan-2-carboxylic acid naphthalen-2-ylamide
CID 573329
3-Methyl-furan-2-carboxylic acid naphthalen-1-ylamide
CID 573330
4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide
CID 691566
N-(3-benzamidophenyl)furan-2-carboxamide
CID 825801
N-{4-[(2-biphenylylamino)carbonyl]phenyl}-2-furamide
CID 1316336
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247
N-{4-[(phenylacetyl)amino]phenyl}furan-2-carboxamide
CID 773986
N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 795907
N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 880238

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide (CID 565828) is N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccco1.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide?
The InChIKey is XXYVMBQWFBBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide?
N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 565828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).