2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C11H12ClNO — CID 14511480

IUPAC2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(CCl)N[C@H]1CCc2ccccc21
InChIInChI=1S/C11H12ClNO/c12-7-11(14)13-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyPXOJBWMHNNIZLL-JTQLQIEISA-N
MW209.68 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 14511480) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID14511480
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(CCl)N[C@H]1CCc2ccccc21
InChIInChI=1S/C11H12ClNO/c12-7-11(14)13-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKeyPXOJBWMHNNIZLL-JTQLQIEISA-N
XLogP2.03
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 ≤ 52.03
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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 14511480) is 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(CCl)N[C@H]1CCc2ccccc21.
What is the InChIKey of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is PXOJBWMHNNIZLL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClNO/c12-7-11(14)13-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 209.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 14511480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).