3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

C22H18N2O4 — CID 9482018

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-14(19-10-5-11-28-19)23-20(25)16-7-4-6-15(12-16)13-24-21(26)17-8-2-3-9-18(17)22(24)27/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyIYCGBJOTMIKSIK-CQSZACIVSA-N
MW374.40 g/mol
LogP3.57
Rot. Bonds5

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 9482018) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
PubChem CID9482018
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-14(19-10-5-11-28-19)23-20(25)16-7-4-6-15(12-16)13-24-21(26)17-8-2-3-9-18(17)22(24)27/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyIYCGBJOTMIKSIK-CQSZACIVSA-N
XLogP3.57
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.57
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

2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9482087
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364200
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 112763749
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 60592964
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9482083
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 7563108

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (CID 9482018) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccco1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is IYCGBJOTMIKSIK-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14(19-10-5-11-28-19)23-20(25)16-7-4-6-15(12-16)13-24-21(26)17-8-2-3-9-18(17)22(24)27/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 9482018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).