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

C17H16ClNO — CID 114302037

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H16ClNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2,(H,19,20)
InChIKeyKZEZUEUIPXCGLS-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.25
Rot. Bonds3

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

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide (PubChem CID 114302037) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
PubChem CID114302037
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H16ClNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2,(H,19,20)
InChIKeyKZEZUEUIPXCGLS-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.25
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-(3-fluorophenyl)acetamide
CID 114302053
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
CID 114302120
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 114302171
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
CID 83149871
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
CID 103860604

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide (CID 114302037) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NC1c2ccccc2CC1Cl.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide?
The InChIKey is KZEZUEUIPXCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-11-13-8-4-5-9-14(13)17(15)19-16(20)10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2,(H,19,20).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide has a molecular weight of 285.77 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide is sourced from PubChem (CID 114302037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).