2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide

C26H23N3O4 — CID 46543344

IUPAC2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H23N3O4/c1-2-14-27-24(31)21-12-5-6-13-22(21)28-23(30)18-9-7-8-17(15-18)16-29-25(32)19-10-3-4-11-20(19)26(29)33/h3-13,15H,2,14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyLIXNNGZFZIXDIQ-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.87
Rot. Bonds7

About 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide

2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide (PubChem CID 46543344) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
PubChem CID46543344
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C26H23N3O4/c1-2-14-27-24(31)21-12-5-6-13-22(21)28-23(30)18-9-7-8-17(15-18)16-29-25(32)19-10-3-4-11-20(19)26(29)33/h3-13,15H,2,14,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyLIXNNGZFZIXDIQ-UHFFFAOYSA-N
XLogP3.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 34281206
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide (CID 46543344) is 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide?
The InChIKey is LIXNNGZFZIXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-2-14-27-24(31)21-12-5-6-13-22(21)28-23(30)18-9-7-8-17(15-18)16-29-25(32)19-10-3-4-11-20(19)26(29)33/h3-13,15H,2,14,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide?
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide has a molecular weight of 441.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 46543344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).