N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

C22H17ClN2O4 — CID 31987257

IUPACN-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C22H17ClN2O4/c1-24(12-14-4-7-16(23)8-5-14)20(26)15-6-9-18-19(11-15)22(28)25(21(18)27)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3
InChIKeyHDHBDQBYBIZTGB-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.00
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31987257) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID31987257
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C22H17ClN2O4/c1-24(12-14-4-7-16(23)8-5-14)20(26)15-6-9-18-19(11-15)22(28)25(21(18)27)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3
InChIKeyHDHBDQBYBIZTGB-UHFFFAOYSA-N
XLogP4.00
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27798954
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 42905011
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46647679
methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
CID 55513783
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951
N-(2,2-dimethylpropyl)-2-(furan-2-ylmethyl)-1,3-dioxo-N-(2,2,2-trifluoroethyl)isoindole-5-carboxamide
CID 56531073
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
N-[(4-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 31988277
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
[2-(3-chlorophenyl)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2491125

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 31987257) is N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HDHBDQBYBIZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-24(12-14-4-7-16(23)8-5-14)20(26)15-6-9-18-19(11-15)22(28)25(21(18)27)13-17-3-2-10-29-17/h2-11H,12-13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 408.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31987257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).