2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C11H12ClNO — CID 2305716

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CCl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,13,14)
InChIKeyXCKKTHZBBNGEAK-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 2305716) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID2305716
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CCl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,13,14)
InChIKeyXCKKTHZBBNGEAK-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 2305716) is 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CCl)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is XCKKTHZBBNGEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,13,14).
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 209.68 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 2305716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).