4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide

C20H24N2O — CID 141336878

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O/c1-4-20(2,3)21-19(23)15-9-11-18(12-10-15)22-13-16-7-5-6-8-17(16)14-22/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyZDXNUVJNLLXYER-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.13
Rot. Bonds4

About 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide

4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide (PubChem CID 141336878) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide
PubChem CID141336878
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C20H24N2O/c1-4-20(2,3)21-19(23)15-9-11-18(12-10-15)22-13-16-7-5-6-8-17(16)14-22/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyZDXNUVJNLLXYER-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-aminohexyl)-4-(1,3-dihydroisoindol-2-yl)benzamide
CID 141337083
4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 141337108
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 60533340
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
2-(4-ethylphenyl)-1,3-dihydroisoindole
CID 3383161
N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 745834
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035076
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738250
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide (CID 141336878) is 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is ZDXNUVJNLLXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-20(2,3)21-19(23)15-9-11-18(12-10-15)22-13-16-7-5-6-8-17(16)14-22/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide?
4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 308.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 141336878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).