3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

C20H22ClN3O3 — CID 120829754

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13(21-2)11-22-18(24)15-7-5-6-14(10-15)12-23-19(25)16-8-3-4-9-17(16)20(23)26;/h3-10,13,21H,11-12H2,1-2H3,(H,22,24);1H
InChIKeyMTNBZARGEZDKPX-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.24
Rot. Bonds6

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120829754) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120829754
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-13(21-2)11-22-18(24)15-7-5-6-14(10-15)12-23-19(25)16-8-3-4-9-17(16)20(23)26;/h3-10,13,21H,11-12H2,1-2H3,(H,22,24);1H
InChIKeyMTNBZARGEZDKPX-UHFFFAOYSA-N
XLogP2.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.24
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-[di(propan-2-yl)amino]ethyl]benzamide
CID 46650963
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9218396
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9482018
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55416490
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414396
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364200
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 112763749

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120829754) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.Cl.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is MTNBZARGEZDKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-13(21-2)11-22-18(24)15-7-5-6-14(10-15)12-23-19(25)16-8-3-4-9-17(16)20(23)26;/h3-10,13,21H,11-12H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 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-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120829754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).