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

C11H12ClNO — CID 139750983

IUPACN-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C[C@H]1Cl
InChIInChI=1S/C11H12ClNO/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKeySHHXPKLNGYSSTL-GHMZBOCLSA-N
MW209.68 g/mol
LogP2.03
Rot. Bonds1

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

N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 139750983) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID139750983
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C[C@H]1Cl
InChIInChI=1S/C11H12ClNO/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKeySHHXPKLNGYSSTL-GHMZBOCLSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
CID 83149871
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 147490367
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
CID 114302120

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide (CID 139750983) is N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C[C@H]1Cl.
What is the InChIKey of N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is SHHXPKLNGYSSTL-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)12/h2-5,10-11H,6H2,1H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 209.68 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 139750983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).