N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide

C22H19N3O2 — CID 140749342

IUPACN-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
SMILESCN1C(=O)c2c(NC(=O)c3ccccc3)ccc(-c3ccccc3)c2C1N
InChIInChI=1S/C22H19N3O2/c1-25-20(23)18-16(14-8-4-2-5-9-14)12-13-17(19(18)22(25)27)24-21(26)15-10-6-3-7-11-15/h2-13,20H,23H2,1H3,(H,24,26)
InChIKeyJWTGPZGLGSJWTN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.65
Rot. Bonds3

About N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide

N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide (PubChem CID 140749342) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
PubChem CID140749342
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
SMILESCN1C(=O)c2c(NC(=O)c3ccccc3)ccc(-c3ccccc3)c2C1N
InChIInChI=1S/C22H19N3O2/c1-25-20(23)18-16(14-8-4-2-5-9-14)12-13-17(19(18)22(25)27)24-21(26)15-10-6-3-7-11-15/h2-13,20H,23H2,1H3,(H,24,26)
InChIKeyJWTGPZGLGSJWTN-UHFFFAOYSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The IUPAC name of N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide (CID 140749342) is N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide.
What is the SMILES notation for N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The canonical SMILES for N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide is CN1C(=O)c2c(NC(=O)c3ccccc3)ccc(-c3ccccc3)c2C1N.
What is the InChIKey of N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
The InChIKey is JWTGPZGLGSJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-25-20(23)18-16(14-8-4-2-5-9-14)12-13-17(19(18)22(25)27)24-21(26)15-10-6-3-7-11-15/h2-13,20H,23H2,1H3,(H,24,26).
What are the key properties of N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide?
N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide is sourced from PubChem (CID 140749342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).