5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

C20H13ClN2O4 — CID 1227268

IUPAC5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2C1=O
InChIInChI=1S/C20H13ClN2O4/c1-23-19(25)14-7-6-13(10-15(14)20(23)26)22-18(24)17-9-8-16(27-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H,22,24)
InChIKeyDPDILXVAVIFXMM-UHFFFAOYSA-N
MW380.79 g/mol
LogP4.08
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide

5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (PubChem CID 1227268) has the molecular formula C20H13ClN2O4 and a molecular weight of 380.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
PubChem CID1227268
Molecular FormulaC20H13ClN2O4
Molecular Weight380.79 g/mol
Exact Mass380.06
IUPAC Name5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2C1=O
InChIInChI=1S/C20H13ClN2O4/c1-23-19(25)14-7-6-13(10-15(14)20(23)26)22-18(24)17-9-8-16(27-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H,22,24)
InChIKeyDPDILXVAVIFXMM-UHFFFAOYSA-N
XLogP4.08
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 54.08
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,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(4-chlorophenyl)-N-(2-methyl-4-pyridinyl)furan-2-carboxamide
CID 24776776
N-[4-(acetylcarbamothioylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5230073
N-[4-(butanoylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5343907
5-(4-chlorophenyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 780278
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide (CID 1227268) is 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
The InChIKey is DPDILXVAVIFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4/c1-23-19(25)14-7-6-13(10-15(14)20(23)26)22-18(24)17-9-8-16(27-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H,22,24).
What are the key properties of 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide has a molecular weight of 380.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1227268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).