2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide

C10H10Cl2N2O — CID 19691968

IUPAC2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CCl)NN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C10H10Cl2N2O/c11-4-10(15)13-14-5-7-2-1-3-9(12)8(7)6-14/h1-3H,4-6H2,(H,13,15)
InChIKeyNKBWDISGTWMDEV-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide

2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 19691968) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide
PubChem CID19691968
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CCl)NN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C10H10Cl2N2O/c11-4-10(15)13-14-5-7-2-1-3-9(12)8(7)6-14/h1-3H,4-6H2,(H,13,15)
InChIKeyNKBWDISGTWMDEV-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.93
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-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide (CID 19691968) is 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide is O=C(CCl)NN1Cc2cccc(Cl)c2C1.
What is the InChIKey of 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is NKBWDISGTWMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-4-10(15)13-14-5-7-2-1-3-9(12)8(7)6-14/h1-3H,4-6H2,(H,13,15).
What are the key properties of 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide?
2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 245.11 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 19691968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).