2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide

C16H15ClN2O — CID 19691959

IUPAC2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CCl)NN1Cc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C16H15ClN2O/c17-9-16(20)18-19-10-14-7-6-13(8-15(14)11-19)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,20)
InChIKeyJMYJYZVASAWIOE-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide

2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 19691959) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide
PubChem CID19691959
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CCl)NN1Cc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C16H15ClN2O/c17-9-16(20)18-19-10-14-7-6-13(8-15(14)11-19)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,20)
InChIKeyJMYJYZVASAWIOE-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide (CID 19691959) is 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide is O=C(CCl)NN1Cc2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is JMYJYZVASAWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-9-16(20)18-19-10-14-7-6-13(8-15(14)11-19)12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,20).
What are the key properties of 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide?
2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 286.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-phenyl-1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 19691959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).