5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride

C19H25Cl2N3O — CID 120645756

IUPAC5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
SMILESCCCN1Cc2cccc(NC(=O)c3cc(N)ccc3C)c2C1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-3-9-22-11-14-5-4-6-18(17(14)12-22)21-19(23)16-10-15(20)8-7-13(16)2;;/h4-8,10H,3,9,11-12,20H2,1-2H3,(H,21,23);2*1H
InChIKeyRURFXPMFOYSOHO-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.40
Rot. Bonds4

About 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride

5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride (PubChem CID 120645756) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
PubChem CID120645756
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
SMILESCCCN1Cc2cccc(NC(=O)c3cc(N)ccc3C)c2C1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-3-9-22-11-14-5-4-6-18(17(14)12-22)21-19(23)16-10-15(20)8-7-13(16)2;;/h4-8,10H,3,9,11-12,20H2,1-2H3,(H,21,23);2*1H
InChIKeyRURFXPMFOYSOHO-UHFFFAOYSA-N
XLogP4.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113
1-(4-fluoro-2-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)triazole-4-carboxamide
CID 119043140
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-5-amino-2-methylbenzamide
CID 120623542
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
4-(aminomethyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]benzamide
CID 119872415
5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
CID 120635670
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride (CID 120645756) is 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride is CCCN1Cc2cccc(NC(=O)c3cc(N)ccc3C)c2C1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride?
The InChIKey is RURFXPMFOYSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-3-9-22-11-14-5-4-6-18(17(14)12-22)21-19(23)16-10-15(20)8-7-13(16)2;;/h4-8,10H,3,9,11-12,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride?
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120645756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).