N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C20H12Cl2N2O4 — CID 46797627

IUPACN-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C20H12Cl2N2O4/c21-15-4-1-5-16(17(15)22)23-18(25)11-6-7-13-14(9-11)20(27)24(19(13)26)10-12-3-2-8-28-12/h1-9H,10H2,(H,23,25)
InChIKeyAVPPDIZXOZRFGO-UHFFFAOYSA-N
MW415.23 g/mol
LogP4.63
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 46797627) has the molecular formula C20H12Cl2N2O4 and a molecular weight of 415.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID46797627
Molecular FormulaC20H12Cl2N2O4
Molecular Weight415.23 g/mol
Exact Mass414.02
IUPAC NameN-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C20H12Cl2N2O4/c21-15-4-1-5-16(17(15)22)23-18(25)11-6-7-13-14(9-11)20(27)24(19(13)26)10-12-3-2-8-28-12/h1-9H,10H2,(H,23,25)
InChIKeyAVPPDIZXOZRFGO-UHFFFAOYSA-N
XLogP4.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.23
LogP ≤ 54.63
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-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 46623355
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
2-(furan-2-ylmethyl)-N-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 39753467
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 55481067
2-(furan-2-ylmethyl)-N-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 43025507
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 46797627) is N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AVPPDIZXOZRFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O4/c21-15-4-1-5-16(17(15)22)23-18(25)11-6-7-13-14(9-11)20(27)24(19(13)26)10-12-3-2-8-28-12/h1-9H,10H2,(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 415.23 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 46797627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).